%chk=000028987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028987

0 1
 O    2.941000     -0.5794000      0.8978000    
 O   -2.575000      -4.481300     -0.2950000    
 N   -2.459000     -0.2756000      3.9999999E-04
 N    6.034400      0.9771000     -0.3570000    
 C   -1.109600     -0.1437000      0.2392000    
 C  -0.5660000      -1.430100      0.2469000    
 C   -2.786300      -1.597300     -0.1422000    
 C   -1.635600      -2.336900      5.2000000E-03
 C   -3.366300      0.7866000     -8.4399998E-02
 C   0.8168000      -1.580600      0.4724000    
 C  -0.3365000       1.004100      0.4466000    
 C    1.602500     -0.4414000      0.6814000    
 C    5.146700     -7.7500001E-02  0.1097000    
 C   -4.172400      -2.046900     -0.4077000    
 C    1.032600      0.8301000      0.6683000    
 C    3.780500      0.4882000      0.4632000    
 C   -1.570000      -3.769500     -7.8100003E-02
 C    6.201700       2.006800      0.6714000    
 C    7.337700      0.4266000     -0.7375000    
 C   -4.010500       1.224500       1.062600    
 C   -3.605100       1.381500      -1.313900    
 C  -0.2407000      -4.502000      9.9699996E-02
 C   -4.915400       2.282700      0.9782000    
 C   -4.509900       2.439900      -1.398300    
 C   -5.165000       2.890300     -0.2523000    
 C    7.071300       3.147200      0.1701000    
 C    7.190700     -0.6450000      -1.804500    
 C   -6.132600       4.021700     -0.3425000    
 H    1.310900      -2.543800      0.4924000    
 H  -0.7720000       1.997900      0.4449000    
 H    4.966500     -0.8342000     -0.6619000    
 H    5.562100     -0.6128000      0.9743000    
 H   -4.903900      -1.238500     -0.4802000    
 H   -4.513500      -2.712200      0.3930000    
 H   -4.215900      -2.599200      -1.352700    
 H    1.616900       1.726800      0.8574000    
 H    3.372400      0.9897000     -0.4247000    
 H    3.824300       1.187700       1.301800    
 H    6.618500       1.598000       1.600300    
 H    5.249000       2.483900      0.9152000    
 H    7.876000      1.5000000E-02  0.1255000    
 H    7.968400       1.202700      -1.183000    
 H   -3.824800      0.7584000       2.026800    
 H   -3.101200       1.038700      -2.213900    
 H  -0.4134000      -5.579000     -8.9999998E-04
 H   0.4605000      -4.208500     -0.6845000    
 H   0.1567000      -4.326500       1.101800    
 H   -5.421000       2.623400       1.877800    
 H   -4.697400       2.903800      -2.363000    
 H    6.991000       3.999000      0.8552000    
 H    6.755500       3.495000     -0.8196000    
 H    8.131700       2.879500      0.1319000    
 H    8.172500     -0.8640000      -2.239700    
 H    6.814500      -1.590000      -1.400600    
 H    6.538700     -0.3196000      -2.622400    
 H   -5.857100       4.714400      -1.145000    
 H   -7.139400       3.640000     -0.5388000    
 H   -6.151500       4.600400      0.5872000    


%chk=000028987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028987

0 1
O 2.991853 -0.802264 0.064827
O -2.856674 -4.545894 0.801141
N -2.576837 -0.331483 0.025181
N 6.321033 0.875776 -0.129185
C -1.161222 -0.228996 -0.018837
C -0.618009 -1.541588 0.196904
C -2.936193 -1.664325 0.260392
C -1.756907 -2.447218 0.373692
C -3.474940 0.783567 -0.132106
C 0.789991 -1.687799 0.217606
C -0.354709 0.908348 -0.195302
C 1.606474 -0.550539 0.027998
C 5.330864 -0.226264 -0.042665
C -4.369235 -2.102208 0.310042
C 1.046040 0.743985 -0.175366
C 3.905361 0.336236 -0.125594
C -1.771219 -3.900831 0.602101
C 6.625623 1.477730 1.198326
C 7.538375 0.518876 -0.905418
C -4.373147 1.129673 0.904906
C -3.446459 1.553643 -1.319395
C -0.444613 -4.659004 0.601307
C -5.243430 2.228260 0.744825
C -4.313526 2.657261 -1.462124
C -5.231134 3.011417 -0.438675
C 7.082677 2.945992 1.103374
C 7.287766 0.477345 -2.424661
C -6.186932 4.177804 -0.614786
H 1.282986 -2.647658 0.379811
H -0.793208 1.900578 -0.337545
H 5.478141 -0.927200 -0.882803
H 5.434824 -0.822071 0.893793
H -5.030478 -1.390119 -0.212050
H -4.722304 -2.204864 1.353971
H -4.458513 -3.108301 -0.127759
H 1.688384 1.617592 -0.313946
H 3.740339 0.807511 -1.114512
H 3.733287 1.096582 0.664299
H 7.392444 0.876546 1.749772
H 5.703266 1.434818 1.807703
H 7.967550 -0.457357 -0.564718
H 8.305513 1.286717 -0.697266
H -4.376821 0.547441 1.832205
H -2.757815 1.278201 -2.125010
H -0.652722 -5.734378 0.712301
H 0.117994 -4.486671 -0.334594
H 0.195202 -4.328877 1.441571
H -5.934579 2.487480 1.555553
H -4.283115 3.246921 -2.386102
H 7.282298 3.354908 2.111558
H 6.300607 3.557262 0.620199
H 8.009334 3.051326 0.510623
H 8.219390 0.222636 -2.963858
H 6.528146 -0.278308 -2.696015
H 6.930570 1.460511 -2.777381
H -5.750664 4.968333 -1.250189
H -7.127250 3.849749 -1.099098
H -6.458677 4.629289 0.355277


