%chk=000210995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210995

0 1
S 2.082782 0.134949 -1.027295
O -0.752096 2.409100 0.436668
O -0.474703 -2.564030 0.223994
O -4.426215 -0.395046 -0.445958
N 3.343725 0.094236 1.267353
N 4.800765 0.401769 -0.642990
C -0.307060 -0.059382 0.339652
C -1.119364 1.104035 0.279462
C -0.988953 -1.300027 0.178721
C 1.121059 0.013908 0.463617
C -2.502837 1.057406 0.018991
C -2.364715 -1.378210 -0.082527
C -3.101505 -0.189236 -0.173453
C 1.961732 0.016326 1.538333
C 3.575474 0.177423 -0.039198
C 0.567489 2.809611 0.872014
C 0.868715 -2.846439 0.676623
C -5.288562 0.766861 -0.556432
H -3.055790 1.989016 -0.021316
H -2.847115 -2.344494 -0.209977
H 1.669065 -0.042975 2.584525
H 0.824027 2.333161 1.820977
H 0.427830 3.891942 1.002181
H 1.303707 2.606706 0.089495
H 1.043124 -2.419242 1.666925
H 1.596956 -2.501771 -0.061688
H 0.849767 -3.944571 0.722044
H -5.317531 1.307187 0.394252
H -6.258452 0.303693 -0.779285
H -4.957352 1.406448 -1.379825
H 5.620137 0.303034 -0.049684
H 4.933093 0.039714 -1.577801


%chk=000210995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210995

0 1
S 2.736641 -0.880010 -0.179273
O -0.420143 2.431597 0.975659
O 0.322347 -2.256280 -0.148130
O -4.192980 -0.537474 0.053016
N 3.552029 1.157524 1.371526
N 5.358144 -0.081325 0.410748
C 0.033463 0.050579 0.433569
C -0.879261 1.134709 0.622640
C -0.574282 -1.202780 0.069491
C 1.478884 0.207058 0.629698
C -2.280378 0.993076 0.515895
C -1.966023 -1.363895 -0.057800
C -2.822820 -0.265162 0.182334
C 2.155793 1.168090 1.380469
C 4.018480 0.176783 0.602947
C 0.078038 3.224627 -0.168977
C -0.211688 -3.566731 -0.518652
C -5.122547 0.564916 0.312206
H -2.895824 1.875713 0.704741
H -2.418077 -2.321159 -0.325434
H 1.640114 1.924216 1.970716
H 0.396898 4.189406 0.254274
H -0.733105 3.382809 -0.906142
H 0.936890 2.726225 -0.655792
H -0.767442 -3.518374 -1.474998
H -0.869236 -3.968272 0.276175
H 0.672716 -4.210537 -0.632275
H -5.015015 0.945026 1.346438
H -6.125318 0.134178 0.175862
H -4.971509 1.394971 -0.405132
H 6.029774 0.500074 0.907060
H 5.682636 -0.828476 -0.194461


