%chk=000295378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295378

0 1
O 3.825261 0.419416 -0.769559
O -2.775425 1.786948 -0.002998
O 4.051742 -1.592605 0.240479
N -4.492575 0.531357 0.909978
N -2.283170 -0.350371 0.790421
C 5.956209 1.212246 0.102912
C -6.153489 1.080339 -0.910730
C 5.259009 0.470444 -1.051731
C -5.516380 1.495808 0.421604
C -7.122187 -0.100239 -0.768311
C 7.061210 2.118675 -0.448967
C 6.515875 0.225240 1.129427
C -7.760434 -0.466164 -2.105999
C 1.878048 -0.541186 0.119599
C -0.878651 -0.361539 0.558719
C -3.154998 0.743369 0.495263
C 3.331461 -0.675421 -0.093274
C 1.200390 -1.588305 0.769584
C 1.167230 0.594486 -0.304620
C -0.169117 -1.507311 0.992988
C -0.203571 0.690214 -0.088915
H 5.183987 1.851690 0.605218
H -5.364264 0.841439 -1.651828
H -6.689675 1.952540 -1.337714
H 5.268093 1.033586 -2.001212
H 5.641103 -0.552807 -1.207762
H -6.283642 1.587237 1.223284
H -5.038425 2.501329 0.315412
H -6.593581 -0.981946 -0.358086
H -7.913956 0.148646 -0.033732
H 6.659724 2.885468 -1.120188
H 7.581516 2.638971 0.364086
H 7.817602 1.550622 -1.001571
H 6.846314 0.736300 2.038722
H 5.757112 -0.517878 1.420123
H 7.371014 -0.335464 0.736952
H -4.836647 -0.421010 1.019008
H -7.007821 -0.749791 -2.851153
H -8.449786 -1.311677 -1.999233
H -8.332966 0.370081 -2.524437
H -2.654456 -1.149318 1.309279
H 1.763705 -2.467830 1.098252
H 1.702591 1.406602 -0.807690
H -0.680146 -2.323000 1.497447
H -0.750839 1.582106 -0.417846


%chk=000295378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295378

0 1
O 3.937883 0.405403 -0.748859
O -2.863281 1.786803 0.145823
O 4.044824 -1.802967 0.025101
N -4.506191 0.283820 0.851865
N -2.277546 -0.432269 0.733156
C 6.099290 1.454561 -0.125692
C -6.342379 1.170816 -0.648604
C 5.402394 0.408683 -1.016161
C -5.598433 1.262572 0.704849
C -7.072240 -0.172051 -0.877883
C 7.580496 1.574997 -0.559313
C 5.973170 1.097043 1.371679
C -7.837293 -0.210047 -2.218762
C 1.914440 -0.619813 0.012220
C -0.885431 -0.438814 0.480366
C -3.191553 0.629597 0.543317
C 3.374923 -0.765285 -0.216748
C 1.202693 -1.729732 0.539529
C 1.206815 0.576930 -0.272984
C -0.177294 -1.642072 0.770439
C -0.177157 0.679136 -0.044973
H 5.600968 2.430111 -0.299504
H -5.617663 1.351318 -1.465995
H -7.080094 1.998305 -0.689085
H 5.503197 0.666331 -2.085618
H 5.799823 -0.606494 -0.831807
H -6.310060 1.118484 1.541205
H -5.141704 2.261522 0.809438
H -6.336166 -1.002015 -0.857788
H -7.780263 -0.353415 -0.042226
H 7.673238 1.859933 -1.624382
H 8.098803 2.342429 0.043249
H 8.114834 0.616446 -0.414047
H 6.468302 1.860761 1.999077
H 4.914415 1.037751 1.680044
H 6.445340 0.118986 1.583241
H -4.750670 -0.678855 1.086333
H -7.148197 -0.058790 -3.070490
H -8.350853 -1.177750 -2.365806
H -8.601368 0.588725 -2.260637
H -2.648584 -1.304097 1.117594
H 1.753531 -2.649927 0.759345
H 1.755626 1.431478 -0.678165
H -0.716500 -2.507512 1.177642
H -0.721091 1.600259 -0.258783


