%chk=000203152.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203152

0 1
O -1.445565 -1.341116 0.136121
O 5.377463 -0.705797 0.105728
O 3.401931 3.018416 -0.084412
O 5.592062 1.540033 -0.008904
N -5.573464 -0.310462 -0.050271
N -0.824235 0.880169 0.027677
C -6.173211 -0.098058 1.308890
C -6.450776 -1.182800 -0.899623
C -7.548592 0.575899 1.171964
C -7.831555 -0.526307 -1.066260
C -8.486873 -0.262034 0.294753
C -4.190995 -0.875086 0.054953
C -3.208022 0.313539 0.067144
C -1.780548 -0.178382 0.081447
C 0.589699 0.747614 0.032342
C 1.340828 1.932031 -0.028635
C 1.233870 -0.513891 0.096779
C 3.405183 0.588990 0.039940
C 2.742674 1.843740 -0.024355
C 2.614204 -0.579908 0.099704
C 4.857433 0.554879 0.041443
C 6.847784 -0.809198 0.110174
C 7.086922 -2.312779 0.193066
C 8.579160 -2.621132 0.207688
H -5.490538 0.563200 1.884125
H -6.272233 -1.043535 1.885304
H -5.967220 -1.283706 -1.895807
H -6.566835 -2.207188 -0.484862
H -7.988615 0.730329 2.173633
H -7.422351 1.582361 0.724867
H -7.719171 0.429606 -1.616537
H -8.476664 -1.172263 -1.688828
H -9.450755 0.262204 0.158289
H -8.725596 -1.218906 0.796138
H -3.960317 -1.526060 -0.817756
H -4.029489 -1.509186 0.953639
H -3.412914 0.963738 0.943170
H -3.410335 0.953306 -0.820963
H -1.175998 1.842138 -0.025320
H 0.884701 2.916974 -0.079645
H 0.636000 -1.430486 0.143179
H 3.122336 -1.549207 0.148883
H 7.220914 -0.348755 -0.819644
H 7.223087 -0.249006 0.982617
H 6.591968 -2.818411 -0.661595
H 6.594841 -2.720893 1.099898
H 8.754900 -3.702513 0.267356
H 9.083016 -2.163010 1.067473
H 9.080061 -2.261008 -0.699175
H 4.433425 2.903015 -0.078991


%chk=000203152-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203152

0 1
O -1.551641 -1.398767 -0.614250
O 5.437766 -0.782253 0.074859
O 3.364855 2.750515 1.204385
O 5.543880 1.401507 0.869543
N -5.670895 -0.392902 -0.159393
N -0.861357 0.702786 0.179711
C -6.212375 0.656705 0.742847
C -6.570121 -1.577652 -0.203200
C -7.614560 1.114319 0.291221
C -7.978895 -1.188263 -0.693391
C -8.584615 -0.085870 0.204800
C -4.278618 -0.777239 0.169132
C -3.262022 0.319558 -0.216006
C -1.828243 -0.224591 -0.233554
C 0.550498 0.565742 0.227733
C 1.288388 1.685733 0.679258
C 1.222886 -0.636289 -0.156401
C 3.385436 0.427581 0.371529
C 2.695283 1.630820 0.756411
C 2.619782 -0.682899 -0.078743
C 4.846988 0.403955 0.462612
C 6.930677 -0.841842 0.157472
C 7.348941 -2.225307 -0.340239
C 8.883933 -2.395183 -0.282893
H -5.523886 1.521734 0.739995
H -6.269324 0.281296 1.800782
H -6.122710 -2.324210 -0.885409
H -6.655749 -2.058337 0.808280
H -7.996699 1.876683 0.997407
H -7.528608 1.591181 -0.704373
H -7.903036 -0.818077 -1.734090
H -8.626151 -2.086347 -0.701971
H -9.568528 0.237468 -0.184400
H -8.756791 -0.494336 1.222523
H -4.018098 -1.680334 -0.410812
H -4.155730 -1.038922 1.251798
H -3.342090 1.200591 0.448987
H -3.517005 0.658251 -1.240107
H -1.221161 1.612712 0.478444
H 0.795038 2.617138 0.978141
H 0.639605 -1.490352 -0.500238
H 3.151930 -1.593388 -0.369250
H 7.347409 -0.026871 -0.462429
H 7.228018 -0.665229 1.207568
H 6.988112 -2.363125 -1.376446
H 6.856710 -2.997815 0.279405
H 9.178992 -3.396505 -0.642260
H 9.262842 -2.282603 0.750024
H 9.396341 -1.646014 -0.914851
H 4.366192 2.536346 1.196639


