%chk=000195303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195303

0 1
O 1.449331 0.999745 -0.540154
O -1.443382 0.579344 1.037526
O 7.360910 0.347365 0.129987
O 6.336087 2.244475 -0.042183
O -7.271904 0.861837 -0.291512
O -6.087382 2.518972 0.438909
N 1.310125 -1.589134 -0.200937
N 6.352213 1.024363 0.014746
N -1.476663 -1.766226 -0.068268
N -6.223760 1.361717 0.077508
N 1.169584 -2.918504 -0.085116
N -1.345136 -2.999616 0.127740
C -0.325629 2.444913 -0.039701
C 1.189142 2.301437 0.082525
C -1.098287 1.988428 1.194587
C 2.671241 0.408110 -0.283797
C 2.605654 -1.022357 -0.157904
C -2.667495 0.232744 0.533648
C 3.882627 1.078193 -0.229232
C -2.742572 -1.117818 0.061079
C 5.056847 0.319136 -0.056301
C 3.796625 -1.746772 -0.008486
C -3.802972 1.044081 0.530877
C 5.020862 -1.076376 0.043320
C -5.012801 0.493516 0.086004
C -3.974155 -1.639186 -0.346773
C -5.118657 -0.832025 -0.340125
C -0.003557 -3.506086 0.015752
H -0.662081 1.843344 -0.921837
H -0.582403 3.495015 -0.287374
H 1.731392 3.058304 -0.511763
H 1.556648 2.292587 1.121116
H -0.478488 1.946522 2.112505
H -1.997489 2.599015 1.383850
H 3.946940 2.165715 -0.326753
H 3.762487 -2.837583 0.073707
H -3.765258 2.083788 0.871305
H 5.954801 -1.638466 0.165834
H -4.036989 -2.678898 -0.683244
H -6.084958 -1.231957 -0.666854
H 0.504539 -0.917171 -0.218845
H 0.011664 -4.611590 0.072632


%chk=000195303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195303

0 1
O 1.221910 0.887652 -0.011178
O -1.378150 0.722949 1.271684
O 7.278639 0.336383 -0.295696
O 6.125503 2.307616 -0.231485
O -7.112165 0.729063 -0.761611
O -5.992590 2.539210 0.066262
N 1.242831 -1.765045 0.067816
N 6.178427 1.012902 -0.235827
N -1.285594 -1.744493 0.261184
N -6.056391 1.291634 -0.273878
N 1.166886 -3.118129 -0.025299
N -1.320442 -3.076204 0.099737
C -0.366199 2.720780 0.165355
C 1.119000 2.357062 0.074939
C -1.084978 2.165364 1.409809
C 2.487748 0.306525 -0.047520
C 2.484078 -1.130181 -0.025976
C -2.537483 0.291986 0.638730
C 3.702047 1.009179 -0.114268
C -2.525892 -1.083904 0.208066
C 4.905774 0.268487 -0.169410
C 3.710343 -1.838998 -0.094764
C -3.699259 1.070685 0.460251
C 4.928121 -1.144628 -0.165761
C -4.845141 0.459458 -0.092159
C -3.715213 -1.664524 -0.316662
C -4.881336 -0.903303 -0.471002
C -0.067679 -3.670788 0.014173
H -0.894364 2.390351 -0.748064
H -0.429448 3.827178 0.190596
H 1.577321 2.811298 -0.826511
H 1.671905 2.705913 0.971810
H -0.437179 2.217614 2.300980
H -2.007833 2.735693 1.620839
H 3.757701 2.099694 -0.131340
H 3.676018 -2.930919 -0.085265
H -3.765691 2.122168 0.747141
H 5.886402 -1.666602 -0.213588
H -3.675984 -2.714479 -0.620340
H -5.800474 -1.322748 -0.886151
H 0.311057 -1.249572 0.203390
H -0.084523 -4.759425 -0.061013


