%chk=000004892.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004892

0 1
 O    4.771100       2.266200      0.8083000    
 O   -5.706600      -2.839400      0.1507000    
 O   -7.272900     -0.5452000      0.2209000    
 N    3.012300       1.291200     -0.3555000    
 N   0.1950000       1.136500     -0.3500000    
 N   -1.769500     -0.1812000     -0.1828000    
 N   -1.904100       2.224600     -0.2183000    
 N   -3.986200       3.312800     -8.8399999E-02
 C    6.001800     -0.3642000     -0.8170000    
 C    5.781400      -2.105700       1.080800    
 C    7.375600     -0.5195000     -0.1039000    
 C    7.241200      -1.571500       1.046400    
 C    5.016300      2.1800000E-02  0.2754000    
 C    4.892600     -0.8788000       1.269000    
 C    5.631000      -1.763000      -1.301600    
 C    5.515400      -2.670800     -0.3117000    
 C    4.257000       1.287800      0.2637000    
 C    2.352900      0.1619000      -1.017100    
 C    2.232100       2.525600     -0.4094000    
 C   0.9879000     -0.1015000     -0.3839000    
 C   0.8587000       2.317400      0.2275000    
 C   -1.199200       1.059800     -0.2476000    
 C   -3.108200     -0.2623000     -8.4899999E-02
 C   -3.911700      0.8890000     -4.8599999E-02
 C   -3.241700       2.107100     -0.1196000    
 C   -3.742800      -1.500300     -1.5900001E-02
 C   -5.310400      0.7919000      5.4200001E-02
 C   -5.133000      -1.605200      8.6400002E-02
 C   -5.918000     -0.4581000      0.1214000    
 C   -6.075000      -3.462600      -1.062800    
 C   -7.843200     -0.5642000       1.514200    
 H    6.036000      0.3580000      -1.636800    
 H    5.624700      -2.850900       1.864400    
 H    7.707500      0.4404000      0.3111000    
 H    8.146200     -0.8455000     -0.8137000    
 H    7.950700      -2.391800      0.8806000    
 H    7.506700      -1.106600       2.004200    
 H    4.248400     -0.7571000       2.129600    
 H    5.499200      -1.999500      -2.348600    
 H    5.281600      -3.713100     -0.4808000    
 H    2.955900     -0.7452000     -0.9687000    
 H    2.241500      0.4261000      -2.075700    
 H    2.127300       2.799600      -1.466200    
 H    2.754300       3.345900      9.3099996E-02
 H   0.4904000     -0.8779000     -0.9770000    
 H    1.110100     -0.4805000      0.6383000    
 H   0.9637000       2.172200       1.310000    
 H   0.2801000       3.234600      6.9100000E-02
 H   -3.143800      -2.409500     -4.1200001E-02
 H   -5.947600       1.671300      9.1399997E-02
 H   -4.883400       3.337900     -0.5562000    
 H   -3.440400       4.166400     -0.1155000    
 H   -6.522000      -4.433800     -0.8330000    
 H   -5.197100      -3.626500      -1.696100    
 H   -6.813700      -2.860200      -1.601300    
 H   -7.610900      0.3600000       2.053200    
 H   -7.484600      -1.426900       2.085000    
 H   -8.929300     -0.6429000       1.413900    


%chk=000004892-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004892

0 1
O 4.822476 2.132111 -0.798974
O -5.931895 -2.767356 0.026469
O -7.450870 -0.285031 -0.167817
N 2.841988 0.936865 -0.514444
N 0.185075 0.984226 0.498128
N -1.813175 -0.250261 0.337870
N -1.812576 2.196526 0.209026
N -3.743840 3.450345 -0.071756
C 6.349414 -0.390939 -1.086049
C 6.116937 -2.025013 0.910102
C 7.528807 -0.116407 -0.055550
C 7.397265 -1.103830 1.142468
C 5.059828 -0.192635 -0.281370
C 4.948032 -1.054189 0.772154
C 6.468447 -1.860303 -1.478034
C 6.347778 -2.720571 -0.431532
C 4.232651 1.022889 -0.553465
C 2.032752 -0.301327 -0.519879
C 2.035404 2.170513 -0.649243
C 0.971387 -0.257128 0.603686
C 0.974274 2.228604 0.473555
C -1.193732 0.960528 0.344481
C -3.190135 -0.235215 0.201123
C -3.945510 0.990582 0.067107
C -3.155002 2.212391 0.070148
C -3.897827 -1.477198 0.168442
C -5.364241 0.939290 -0.040569
C -5.286599 -1.511261 0.028285
C -6.039507 -0.283897 -0.045506
C -6.681985 -3.083102 -1.213481
C -8.164877 -0.797832 1.026676
H 6.412990 0.305587 -1.935168
H 5.984568 -2.732152 1.744654
H 7.458234 0.934258 0.273357
H 8.493092 -0.251840 -0.576358
H 8.286982 -1.752559 1.229453
H 7.278327 -0.559677 2.096598
H 4.154502 -1.014061 1.526091
H 6.670021 -2.158981 -2.511575
H 6.435328 -3.809422 -0.500441
H 2.687480 -1.176862 -0.406408
H 1.508569 -0.381098 -1.495257
H 1.529880 2.178406 -1.636663
H 2.723239 3.030102 -0.599761
H 0.274815 -1.106248 0.526167
H 1.477660 -0.290447 1.591167
H 1.486669 2.359082 1.448829
H 0.283246 3.069931 0.316328
H -3.335781 -2.411552 0.241188
H -5.980722 1.843202 -0.105912
H -4.742262 3.563227 -0.213604
H -3.138418 4.268491 -0.059421
H -7.167640 -4.051656 -1.020707
H -5.979446 -3.176751 -2.062909
H -7.435145 -2.304699 -1.429416
H -7.969404 -0.142617 1.896882
H -7.852432 -1.832004 1.258085
H -9.233794 -0.766432 0.765752


