%chk=000291183.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291183

0 1
S 0.831390 2.638497 0.336846
O 1.528719 3.834269 -0.087407
O 0.146805 2.588246 1.605558
N -0.314223 2.398556 -0.936122
C 1.870664 1.268522 0.191977
C 2.381608 -1.080086 0.567572
C -1.406630 1.495826 -0.912533
C 3.631842 -0.913201 -0.086119
C 1.508318 0.043393 0.698277
C -2.921016 -0.039621 0.212766
C 3.125918 1.437284 -0.460417
C -3.522082 -0.371920 -1.030448
C -1.858321 0.909575 0.255421
C 3.984979 0.376341 -0.596534
C -2.028653 1.179839 -2.172634
C -3.052849 0.272851 -2.219125
C 2.024067 -2.368974 1.079931
C 4.505627 -2.040134 -0.215265
C -3.403478 -0.670086 1.406052
C -4.582031 -1.330183 -1.063606
C 2.880567 -3.431146 0.941703
C 4.136932 -3.262947 0.286027
C -4.424041 -1.585053 1.343997
C -5.020731 -1.923500 0.094072
H 0.549614 -0.099207 1.211847
H -0.254916 3.002156 -1.766796
H 3.396128 2.428825 -0.842964
H -1.460954 1.193918 1.234745
H 4.947766 0.498427 -1.091790
H -1.673443 1.665472 -3.078428
H -3.529800 0.025680 -3.168543
H 1.060877 -2.485788 1.577806
H 5.463073 -1.904955 -0.716725
H -2.948309 -0.400068 2.357720
H -5.033171 -1.577746 -2.023437
H 2.618938 -4.415853 1.327116
H 4.796015 -4.126633 0.192525
H -4.797235 -2.066052 2.247396
H -5.826961 -2.653524 0.078938


%chk=000291183-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291183

0 1
S 0.803269 2.738202 0.679205
O 1.657186 4.089905 0.390484
O 0.068847 2.424991 2.092714
N -0.653571 2.809238 -0.647910
C 1.907057 1.256707 0.270660
C 2.396072 -1.108976 0.479265
C -1.469215 1.650248 -0.723681
C 3.532596 -0.922085 -0.403732
C 1.578730 0.021450 0.812498
C -3.194339 0.221679 0.302787
C 3.016304 1.482600 -0.591260
C -3.179765 -0.638104 -0.866714
C -2.341804 1.366858 0.344116
C 3.820311 0.388893 -0.914900
C -1.437108 0.778794 -1.872792
C -2.288260 -0.320023 -1.946379
C 2.116894 -2.416488 0.997346
C 4.345241 -2.056058 -0.732872
C -4.085920 -0.092655 1.384206
C -4.053511 -1.772123 -0.908432
C 2.927478 -3.501226 0.655831
C 4.049025 -3.319396 -0.215390
C -4.926064 -1.205743 1.314895
C -4.910263 -2.052876 0.159972
H 0.727899 -0.082649 1.494810
H -0.155908 3.043113 -1.527391
H 3.235351 2.494080 -0.947620
H -2.361324 2.040653 1.206144
H 4.692274 0.525986 -1.564573
H -0.743964 1.000846 -2.694046
H -2.275212 -0.966671 -2.831641
H 1.257351 -2.551731 1.663576
H 5.206300 -1.918317 -1.397322
H -4.095515 0.557389 2.266749
H -4.042433 -2.419491 -1.793519
H 2.708966 -4.497641 1.054219
H 4.676357 -4.179565 -0.472897
H -5.602894 -1.436488 2.144664
H -5.575437 -2.922327 0.118332


