%chk=000002507.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002507

0 1
 O    2.370400      -1.167200       2.029400    
 O   0.2577000      -3.118900       1.758800    
 O    1.454800     -0.3043000       2.757200    
 O    7.565600      0.1234000      -1.240600    
 O   -8.236800      -1.197600     -0.4193000    
 N  -0.5447000      -1.338700      0.4782000    
 N    1.358600     -0.2224000     -2.1199999E-02
 N   -2.097900      0.5017000     -0.8724000    
 C    1.732900      -1.422600      0.7865000    
 C    2.618300      -2.322000     -6.8499997E-02
 C   7.2800003E-02 -0.3024000     -0.1153000    
 C   0.4004000      -2.107800       1.089200    
 C  -0.8087000      0.6648000     -0.8315000    
 C    3.937900      -1.669500     -0.3810000    
 C   -1.894900      -1.504400      0.4356000    
 C  -0.1571000       1.835600      -1.502200    
 C   -2.639700     -0.6020000     -0.2333000    
 C  -2.0800000E-02   2.989800     -0.5535000    
 C   -4.110700     -0.7584000     -0.2814000    
 C    4.062000     -0.8907000      -1.522900    
 C    5.012900      -1.856000      0.4773000    
 C    5.285200     -0.2862000      -1.812700    
 C    6.236100      -1.251400      0.1878000    
 C   -1.043100       3.927700     -0.4587000    
 C    1.126300       3.111400      0.2231000    
 C   -4.908900     -0.1722000      0.7015000    
 C   -4.700900      -1.492700      -1.311000    
 C    6.372300     -0.4664000     -0.9573000    
 C  -0.9167000       5.000700      0.4236000    
 C    1.252500       4.184400       1.105400    
 C   -6.295200     -0.3200000      0.6551000    
 C   -6.087200      -1.640600      -1.357400    
 C   -6.884400      -1.054100     -0.3744000    
 C   0.2310000       5.129000       1.205600    
 H    2.112700      -2.599500      -1.003400    
 H    2.809300      -3.270200      0.4528000    
 H   -2.305700      -2.366500      0.9478000    
 H  -0.7644000       2.130600      -2.367300    
 H   0.8181000       1.547400      -1.911200    
 H    3.224100     -0.7456000      -2.198900    
 H    4.919000      -2.466000       1.371300    
 H    5.385300      0.3235000      -2.706500    
 H    7.075400      -1.400000      0.8620000    
 H   -1.942600       3.837000      -1.061400    
 H    1.937700       2.394300      0.1483000    
 H   -4.464300      0.4037000       1.509600    
 H   -4.092800      -1.955000      -2.084800    
 H    1.898300      0.5296000       2.525200    
 H   -1.712200       5.736000      0.5020000    
 H    2.147500       4.286100       1.712200    
 H   -6.905000      0.1421000       1.426800    
 H   -6.540300      -2.213400      -2.161900    
 H   0.3297000       5.964800       1.892100    
 H    8.204300     -0.1075000     -0.5442000    
 H   -8.629000     -0.7279000      0.3368000    


%chk=000002507-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002507

0 1
O 2.398735 -0.818392 1.777529
O 0.271522 -3.164150 1.613376
O 1.419091 0.114539 2.476827
O 7.695907 0.322279 -1.540728
O -8.524749 -1.224122 -0.564391
N -0.629322 -1.347763 0.357172
N 1.293514 -0.199860 -0.292178
N -2.284694 0.500923 -0.873948
C 1.721292 -1.335153 0.567701
C 2.763110 -2.280703 -0.087355
C -0.031145 -0.243158 -0.319721
C 0.416867 -2.109815 0.967273
C -0.974818 0.715223 -0.900683
C 4.069056 -1.597281 -0.451525
C -2.000722 -1.562037 0.391424
C -0.420472 2.022714 -1.430237
C -2.831415 -0.659766 -0.262781
C -0.016776 2.931699 -0.260594
C -4.303529 -0.809374 -0.341253
C 4.232596 -0.960894 -1.708935
C 5.155029 -1.580570 0.457304
C 5.440877 -0.327536 -2.057496
C 6.373882 -0.951032 0.125429
C -1.006799 3.662917 0.443348
C 1.335536 3.021998 0.161251
C -5.087131 0.227348 -0.916103
C -4.977493 -1.969870 0.138196
C 6.513312 -0.324086 -1.136014
C -0.654098 4.476360 1.544255
C 1.688877 3.834417 1.264514
C -6.488384 0.119944 -1.004772
C -6.374263 -2.088280 0.057894
C -7.134748 -1.040044 -0.513992
C 0.694796 4.563543 1.959644
H 2.283565 -2.713334 -0.984978
H 2.926626 -3.108217 0.627342
H -2.329184 -2.437059 0.954510
H -1.204013 2.498103 -2.043368
H 0.461335 1.817453 -2.062646
H 3.398659 -0.951234 -2.419598
H 5.044706 -2.053990 1.439163
H 5.573279 0.162853 -3.026347
H 7.205054 -0.948956 0.842811
H -2.055247 3.589048 0.129761
H 2.102062 2.448605 -0.371371
H -4.572623 1.115458 -1.291974
H -4.415367 -2.803005 0.573663
H 1.618767 0.985839 2.014576
H -1.428954 5.038630 2.077379
H 2.738126 3.906156 1.573125
H -7.072599 0.934388 -1.452622
H -6.892745 -2.978917 0.424125
H 0.968781 5.192843 2.813658
H 8.382862 0.274090 -0.830390
H -8.971430 -0.445269 -0.980255


