%chk=000183653.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183653

0 1
S 2.706788 2.618991 1.434697
P 2.547065 0.792493 0.868455
O 2.728168 -0.165063 2.185609
O 3.662535 0.299688 -0.248365
O -0.493493 -1.870877 1.419021
N 1.043652 0.320233 0.111563
N -2.145014 -0.809279 0.262149
C -2.937202 -2.078620 0.045343
C -0.106974 0.475159 1.041622
C -0.909535 -0.832992 0.928926
C 0.804413 0.877227 -1.259905
C -2.751629 0.401557 -0.245845
C -3.364358 -2.659950 1.394941
C -2.112824 -3.077754 -0.769052
C 1.570312 0.045289 -2.286837
C -2.876816 0.584615 -1.633622
C -3.240147 1.367333 0.651310
C 2.570997 -1.611307 2.061646
C 5.015012 0.830931 -0.046704
C -3.482239 1.746610 -2.117406
C -3.837231 2.525614 0.149213
C -3.958265 2.718365 -1.231152
C 3.785057 -2.243977 1.410458
C 5.838745 0.049437 -1.053763
H -3.854295 -1.794357 -0.538074
H 0.201652 0.562928 2.116866
H -0.714819 1.385745 0.839828
H -0.287408 0.816362 -1.481265
H 1.071957 1.955694 -1.349489
H -2.486947 -2.944695 1.999025
H -3.944319 -1.942249 1.983813
H -3.973808 -3.559421 1.262976
H -2.685900 -3.986712 -0.976578
H -1.783986 -2.656939 -1.724110
H -1.205165 -3.381021 -0.220479
H 1.305860 0.343571 -3.305927
H 1.351996 -1.025168 -2.173895
H 2.662234 0.152164 -2.182578
H -2.506679 -0.173803 -2.322185
H -3.162682 1.209166 1.726052
H 2.481238 -1.884288 3.133834
H 1.618618 -1.860039 1.544573
H 5.006253 1.917148 -0.268224
H 5.346447 0.648280 0.992955
H -3.582075 1.895793 -3.192571
H -4.214018 3.281213 0.839176
H -4.425081 3.623979 -1.615144
H 3.846757 -2.017707 0.335138
H 4.716768 -1.890635 1.870316
H 3.756314 -3.335619 1.512112
H 5.850040 -1.022877 -0.819260
H 5.420284 0.146674 -2.065283
H 6.875445 0.404689 -1.080406


%chk=000183653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183653

0 1
S 1.820699 2.615343 1.565349
P 2.315345 0.803864 0.682909
O 2.383983 -0.378403 1.960787
O 3.851321 0.699574 -0.137802
O -0.365756 -1.968996 0.017866
N 1.310339 0.240167 -0.619332
N -2.317135 -0.696387 -0.082963
C -3.214001 -1.890836 0.158443
C -0.130789 0.448071 -0.461802
C -0.933500 -0.843805 -0.144304
C 1.842404 -0.186283 -1.944672
C -2.966161 0.599029 -0.170501
C -2.989901 -2.476958 1.571107
C -3.075576 -2.953406 -0.954781
C 2.183360 -1.684607 -2.067303
C -3.749759 0.916131 -1.308372
C -2.860968 1.529192 0.893099
C 2.458506 -1.845521 1.675553
C 5.023141 1.330737 0.532697
C -4.418267 2.158252 -1.382599
C -3.521793 2.774868 0.809177
C -4.302274 3.092497 -0.326538
C 3.908185 -2.314770 1.519061
C 6.184025 1.239120 -0.453567
H -4.237971 -1.474224 0.115621
H -0.292364 1.195277 0.339897
H -0.545004 0.908997 -1.381600
H 1.062819 0.082600 -2.684531
H 2.736718 0.418328 -2.174074
H -1.973305 -2.892197 1.657794
H -3.126430 -1.700620 2.345486
H -3.721564 -3.283988 1.759553
H -3.809251 -3.762485 -0.783940
H -3.273305 -2.515360 -1.950191
H -2.063643 -3.387657 -0.952731
H 2.471661 -1.915171 -3.111040
H 1.321595 -2.308899 -1.781080
H 3.036782 -1.943013 -1.416430
H -3.825362 0.192459 -2.127865
H -2.271134 1.273432 1.780426
H 1.987627 -2.288365 2.570180
H 1.825635 -2.077811 0.800238
H 4.769490 2.379213 0.780309
H 5.236053 0.782547 1.470349
H -5.020879 2.399402 -2.265248
H -3.428940 3.492203 1.631550
H -4.815417 4.058239 -0.388066
H 4.380002 -1.866798 0.626888
H 4.505676 -2.043726 2.407533
H 3.933311 -3.416029 1.410356
H 6.408062 0.187566 -0.702750
H 5.946578 1.778116 -1.386593
H 7.088828 1.692684 -0.008052


