%chk=000108307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108307

1 1
S -1.146525 2.640936 0.279026
O -0.141882 -2.232249 0.008264
O -1.487059 4.177473 0.824395
O 0.025831 2.741107 -0.571511
O -1.070384 1.784761 1.426856
N -1.915829 -1.127165 -0.904183
N 2.384071 1.107388 -0.629030
C -2.727658 -0.048959 -1.511503
C -3.190136 0.995961 -0.477876
C -2.428402 -2.343464 -0.349969
C -2.585200 2.383630 -0.675791
C -0.547969 -1.082424 -0.659967
C -1.310223 -3.016916 0.208426
C -3.696786 -2.916607 -0.284311
C -1.388051 -4.247331 0.839897
C 0.352659 -0.083282 -0.978624
C -3.791069 -4.161471 0.350431
C -2.669874 -4.810619 0.898192
C 1.675874 -0.028770 -0.511677
C 3.766291 1.246445 -0.223445
C 4.201050 2.524300 0.169380
C 4.644632 0.152422 -0.246501
C 5.532707 2.695663 0.552672
C 5.973142 0.346457 0.143824
C 6.417300 1.610772 0.543502
H -3.615015 -0.523223 -2.000400
H -2.144170 0.418574 -2.340656
H -3.014045 0.627604 0.562761
H -4.299983 1.082419 -0.540330
H -3.359862 3.155876 -0.422188
H -2.410873 2.595822 -1.756075
H -4.574816 -2.428853 -0.702529
H -0.513071 -4.742193 1.261572
H -0.004674 0.745431 -1.606532
H -4.770140 -4.646031 0.423339
H -2.800968 -5.783023 1.383795
H 2.133584 -0.916366 -0.035889
H -0.955421 4.541916 1.553508
H 1.907902 1.972101 -0.973414
H 3.516600 3.373491 0.180366
H 4.319876 -0.833051 -0.575387
H 5.884199 3.683316 0.861333
H 6.667987 -0.496792 0.130847
H 7.457279 1.753423 0.845804


%chk=000108307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108307

1 1
S -2.022445 3.635351 -0.319527
O -0.069396 -2.322005 -0.148988
O -2.478874 3.168913 -2.064334
O -0.542970 3.026675 -0.028409
O -2.310051 5.196256 -0.059087
N -1.852593 -0.955198 -0.453722
N 2.616234 1.023491 -0.044838
C -2.630850 0.283394 -0.656101
C -2.828723 1.066664 0.669464
C -2.364927 -2.281007 -0.395421
C -3.384120 2.474233 0.477954
C -0.479370 -0.995231 -0.298004
C -1.248959 -3.130037 -0.211168
C -3.662981 -2.811885 -0.492962
C -1.337411 -4.517744 -0.113029
C 0.407792 0.089135 -0.271706
C -3.779682 -4.219899 -0.396029
C -2.646279 -5.055226 -0.210116
C 1.792451 -0.049772 -0.116664
C 4.040394 1.035514 0.090280
C 4.662344 2.295475 0.282371
C 4.820999 -0.146811 0.030133
C 6.062750 2.371684 0.421727
C 6.220118 -0.056332 0.175040
C 6.847730 1.196942 0.371303
H -3.604278 0.001396 -1.090823
H -2.118577 0.907039 -1.409864
H -1.875219 1.121484 1.226123
H -3.541985 0.526574 1.322482
H -3.601625 2.990155 1.427064
H -4.215854 2.573864 -0.236143
H -4.546911 -2.184575 -0.638480
H -0.456909 -5.148466 0.028354
H -0.019292 1.097034 -0.348049
H -4.771543 -4.676078 -0.467249
H -2.783114 -6.138145 -0.140664
H 2.250479 -1.039364 -0.037976
H -2.137523 3.869342 -2.692512
H 2.171236 1.950550 -0.077386
H 4.057034 3.209446 0.328851
H 4.366403 -1.128119 -0.138695
H 6.538490 3.345825 0.570802
H 6.823983 -0.968057 0.127177
H 7.934923 1.256016 0.479227


