%chk=000115815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115815

0 1
S 3.454243 0.024359 0.988401
O 5.584247 -2.051913 -1.500414
O 6.572012 2.765956 0.600791
O 4.845179 1.865462 1.723390
O -7.131749 1.485285 -0.516385
N 3.419196 -1.943850 -0.776500
N 1.504051 -0.488719 -0.843775
N 0.199233 -0.589256 -0.429219
N -6.204543 -0.393708 0.451570
C 5.070213 -0.573836 0.364398
C 2.436753 -1.208549 0.038229
C 4.766561 -1.567478 -0.746275
C 5.868241 0.624865 -0.115744
C 5.669526 1.763465 0.841618
C -2.112742 0.053358 -0.557494
C -0.695835 0.228330 -0.919274
C -4.833863 -0.205494 0.090113
C -2.564019 -1.053103 0.184163
C -3.042564 1.025887 -0.970226
C -3.911342 -1.188431 0.508956
C -4.392587 0.904549 -0.652626
C -7.280534 0.467193 0.126457
C -8.607581 -0.004772 0.652840
H 5.603107 -1.103778 1.194939
H 1.897192 -1.905647 0.737063
H 6.950507 0.371134 -0.221878
H 5.568858 0.945977 -1.142424
H 3.073015 -2.551641 -1.522793
H 1.851963 0.394481 -1.243544
H -0.488019 1.065019 -1.603240
H -1.849545 -1.813783 0.508779
H -2.710436 1.890767 -1.545761
H -4.238639 -2.051561 1.083130
H -5.104818 1.670613 -0.980499
H 6.456118 3.545620 1.211919
H -6.403535 -1.235308 0.996184
H -8.901768 -0.980506 0.244214
H -9.396822 0.711347 0.364143
H -8.628073 -0.072334 1.748573


%chk=000115815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115815

0 1
S 3.327554 -0.157267 1.142552
O 5.811149 -1.728116 -1.576148
O 6.617749 2.924848 0.795447
O 6.421652 1.191626 2.330313
O -7.365404 1.390038 -0.733176
N 3.537717 -1.765097 -1.021845
N 1.431468 -0.618697 -0.963311
N 0.126584 -0.749520 -0.519958
N -6.310773 -0.302403 0.508729
C 5.039546 -0.452279 0.382421
C 2.440448 -1.288050 -0.189845
C 4.854248 -1.375301 -0.833375
C 5.766286 0.837400 -0.030340
C 6.278731 1.617843 1.164119
C -2.197061 -0.042607 -0.625563
C -0.789077 0.060843 -1.016584
C -4.955430 -0.174379 0.096002
C -2.655528 -1.013207 0.312294
C -3.150074 0.850359 -1.187004
C -4.009856 -1.076530 0.665776
C -4.513887 0.797452 -0.841240
C -7.423228 0.444482 0.106529
C -8.738005 0.031494 0.765504
H 5.640040 -0.984126 1.140594
H 1.937015 -2.087674 0.373943
H 6.640298 0.559576 -0.655312
H 5.124685 1.490566 -0.646056
H 3.320667 -2.390059 -1.802411
H 1.720129 0.209643 -1.508486
H -0.532859 0.850394 -1.751302
H -1.931144 -1.705450 0.752127
H -2.818339 1.605390 -1.910913
H -4.345981 -1.829618 1.390979
H -5.238364 1.486847 -1.277267
H 6.981060 3.407582 1.587081
H -6.489071 -1.040790 1.193121
H -8.644657 -0.815001 1.468099
H -9.463105 -0.238400 -0.021397
H -9.153985 0.898186 1.307701


