%chk=000194592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194592

0 1
O 0.046710 0.099833 2.123752
O -0.882495 -1.638742 -0.244415
O 1.966746 -0.428123 -0.067721
O -1.998915 1.093200 1.650539
O 0.015396 2.990011 -0.736628
O -1.754176 2.061742 -1.569619
O -2.364806 -1.770642 -1.956396
O 3.787605 0.477039 0.928857
N -0.663298 2.026748 -1.042955
C -0.049502 0.614402 -0.769227
C -1.148753 -0.224988 -0.064925
C 1.229408 0.821013 0.088060
C -1.198396 -0.078707 1.476324
C 0.910762 1.100787 1.559293
C 0.297287 0.040746 -2.138162
C -1.585387 -2.328321 -1.227507
C 3.262599 -0.480453 0.415428
C -2.335854 1.402640 3.020067
C -1.178101 -3.755495 -1.159469
C 3.798734 -1.845202 0.169595
H -2.157263 0.018995 -0.509768
H 1.870669 1.639627 -0.329345
H -1.615950 -0.969808 1.991670
H 1.811987 1.025549 2.202777
H 0.439272 2.097162 1.678310
H 0.799932 -0.934270 -2.014799
H -0.602007 -0.121052 -2.755793
H 0.985671 0.681073 -2.703918
H -3.053018 0.668463 3.397126
H -2.794765 2.395647 2.931683
H -1.432024 1.436765 3.637210
H -0.394738 -3.936426 -0.404018
H -0.797236 -4.102477 -2.133565
H -2.040106 -4.394693 -0.904541
H 3.062796 -2.508135 -0.312847
H 4.100310 -2.318003 1.119451
H 4.694606 -1.805006 -0.470623


%chk=000194592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194592

0 1
O -0.041752 -0.044198 2.168078
O -0.816325 -1.697196 -0.227927
O 1.982011 -0.540517 -0.035410
O -1.982401 1.258419 1.554243
O 0.001694 3.057332 -0.463546
O -1.767661 2.120149 -1.537336
O -2.623856 -1.989772 -1.691204
O 3.940625 0.573548 0.576755
N -0.659886 2.047916 -0.901441
C -0.041963 0.599751 -0.727149
C -1.159858 -0.266253 -0.065417
C 1.229262 0.732957 0.153757
C -1.308975 -0.023409 1.450565
C 0.914179 0.951445 1.641815
C 0.269356 0.120392 -2.158964
C -1.647888 -2.464546 -1.074887
C 3.360481 -0.479952 0.233738
C -2.393010 1.601761 2.926205
C -1.164965 -3.895875 -1.116799
C 3.984632 -1.845656 0.068523
H -2.120943 -0.062229 -0.571554
H 1.858092 1.570539 -0.197824
H -1.894295 -0.838943 1.917926
H 1.822920 0.830036 2.248309
H 0.514914 1.974010 1.773281
H 0.738886 -0.872887 -2.106860
H -0.658898 0.062704 -2.750599
H 0.971741 0.812809 -2.655343
H -3.122586 0.860183 3.308295
H -2.868477 2.590757 2.852510
H -1.521710 1.643755 3.605103
H -0.417376 -4.086942 -0.334053
H -0.715458 -4.099319 -2.105582
H -2.024420 -4.576828 -1.002317
H 3.597899 -2.346792 -0.833547
H 3.720932 -2.476435 0.936806
H 5.078780 -1.749817 0.015753


