%chk=000299055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299055

0 1
S -1.252797 -0.020948 0.827128
O -1.793907 0.020738 -1.794408
N -3.612438 -0.013714 -0.395654
C 0.402235 2.614813 0.381023
C 0.432702 -2.620515 0.291311
C 1.068683 1.243785 0.139244
C 1.083057 -1.234325 0.096758
C 0.417916 -0.001927 0.281369
C 2.429138 1.226944 -0.202307
C 2.443242 -1.189994 -0.243748
C -0.873517 2.776899 -0.464736
C 0.113579 2.757358 1.888832
C 1.340446 3.785134 -0.011427
C 1.384299 -3.765685 -0.141062
C -0.841407 -2.768359 -0.559533
C 0.146303 -2.818056 1.793329
C 3.116182 0.025450 -0.401888
C 4.560134 0.041087 -0.790817
C -2.262503 -0.001056 -0.677550
C -4.148666 -0.040235 0.980288
C -4.591415 -0.000437 -1.507158
H 2.985299 2.156010 -0.319807
H 3.010019 -2.108045 -0.392853
H -1.780355 2.518237 0.089154
H -0.837751 2.159194 -1.374032
H -1.013626 3.811240 -0.797155
H -0.642287 2.049328 2.243183
H -0.259734 3.759797 2.122165
H 1.018318 2.591467 2.482753
H 0.857617 4.748801 0.183494
H 2.273471 3.776356 0.561028
H 1.589378 3.757124 -1.077857
H 0.912801 -4.741026 0.020713
H 1.632424 -3.698222 -1.205915
H 2.317417 -3.765681 0.431314
H -0.813140 -2.119524 -1.447145
H -0.969624 -3.792280 -0.927131
H -1.750975 -2.539360 0.002892
H -0.215903 -3.831974 1.992009
H 1.049444 -2.662805 2.392544
H -0.617086 -2.130967 2.171937
H 5.097176 -0.851941 -0.445515
H 4.660875 0.076825 -1.886453
H 5.092514 0.912732 -0.388222
H -5.250566 -0.046363 0.973244
H -3.824298 0.849792 1.551538
H -3.814067 -0.945483 1.520901
H -4.062428 0.019406 -2.481373
H -5.233370 0.893515 -1.452186
H -5.222709 -0.903310 -1.483018


%chk=000299055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299055

0 1
S -1.382962 -0.020483 0.964116
O -1.643232 0.014050 -1.815670
N -3.643859 -0.012984 -0.594764
C 0.448412 2.664754 0.563926
C 0.475279 -2.673868 0.467943
C 1.032266 1.264403 0.171249
C 1.043587 -1.254035 0.124716
C 0.381297 -0.002066 0.374217
C 2.333572 1.230436 -0.392745
C 2.343849 -1.186706 -0.438958
C -0.821820 3.027288 -0.267482
C 0.136148 2.711579 2.092814
C 1.469980 3.813009 0.303147
C 1.507088 -3.801115 0.159154
C -0.796181 -3.019645 -0.369316
C 0.172346 -2.779193 1.995656
C 2.988028 0.030637 -0.733178
C 4.352448 0.049515 -1.399497
C -2.267973 -0.003330 -0.727979
C -4.325632 -0.032974 0.713199
C -4.475040 -0.003306 -1.815574
H 2.860699 2.167640 -0.582231
H 2.878706 -2.111176 -0.665356
H -1.698733 2.438774 0.039262
H -0.650195 2.852242 -1.344255
H -1.061819 4.097694 -0.120368
H -0.619754 1.966411 2.386109
H -0.249492 3.713862 2.361454
H 1.054117 2.527548 2.681651
H 1.022976 4.761797 0.651403
H 2.414718 3.668064 0.858496
H 1.701848 3.932936 -0.771303
H 1.071488 -4.766663 0.474285
H 1.733702 -3.878066 -0.920373
H 2.453712 -3.667948 0.714244
H -0.638992 -2.787933 -1.437542
H -1.014272 -4.100530 -0.273855
H -1.681412 -2.464825 -0.025394
H -0.200540 -3.794762 2.230179
H 1.091477 -2.605993 2.585933
H -0.589941 -2.053230 2.319204
H 4.936888 -0.855551 -1.156489
H 4.252145 0.088978 -2.501971
H 4.942912 0.931417 -1.093552
H -5.413958 -0.035240 0.541847
H -4.070032 0.856702 1.318009
H -4.062586 -0.935949 1.294740
H -3.807901 0.009789 -2.690368
H -5.121061 0.894464 -1.839704
H -5.112201 -0.906616 -1.859827


