%chk=000203225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203225

0 1
O 4.483385 1.191303 0.404161
O -2.231131 1.168602 -0.113424
O 3.066745 -2.700635 0.230173
O 5.115968 -0.962258 0.159436
N -6.259204 -0.194434 -0.162941
N -1.435027 -0.997830 -0.050117
C -7.355691 0.571052 0.507798
C -4.929640 0.476005 -0.099481
C -3.852598 -0.623305 -0.201017
C -8.611822 -0.310492 0.497568
C -7.642404 1.931584 -0.148636
C -2.471043 -0.018168 -0.117201
C -0.037880 -0.747865 0.025749
C 2.760878 -0.362265 0.168516
C 0.811416 -1.870142 0.087528
C 0.500883 0.556290 0.038753
C 2.196777 -1.657877 0.159426
C 1.874716 0.733297 0.110215
C 5.882986 1.597991 0.463604
C 6.433958 1.707065 -0.956668
C 4.213770 -0.161687 0.231823
C 7.810631 2.360512 -0.962096
H -7.039158 0.740599 1.571508
H -4.814096 1.016595 0.866886
H -4.772116 1.232993 -0.898881
H -6.505384 -0.396262 -1.136726
H -4.026711 -1.368243 0.606862
H -3.973090 -1.187490 -1.149418
H -9.013019 -0.452022 -0.511204
H -8.393462 -1.307036 0.904137
H -9.405637 0.130827 1.109006
H -6.776271 2.599387 -0.098515
H -7.920893 1.830524 -1.202372
H -8.471551 2.443133 0.352985
H -1.708272 -1.985070 -0.049907
H 0.416778 -2.878405 0.081444
H -0.162491 1.427068 -0.006173
H 2.296207 1.746748 0.121826
H 5.802253 2.572060 0.976887
H 6.443469 0.874633 1.081288
H 5.727335 2.281662 -1.587822
H 6.485439 0.693766 -1.409202
H 7.781791 3.378595 -0.557305
H 8.533296 1.786502 -0.369268
H 8.209006 2.425995 -1.981914
H 2.610903 -3.583002 0.218210


%chk=000203225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203225

0 1
O 4.493440 1.428977 0.164401
O -2.317695 1.466947 -1.010233
O 2.816583 -2.473357 0.819632
O 4.966421 -0.742315 0.878960
N -6.309912 -0.188515 -0.305440
N -1.528353 -0.660275 -0.389440
C -7.377847 0.186108 0.661264
C -4.969434 0.382777 -0.067480
C -3.920159 -0.381256 -0.915480
C -8.641891 -0.638267 0.342575
C -7.698281 1.706474 0.701215
C -2.528915 0.239877 -0.783787
C -0.143177 -0.422199 -0.189316
C 2.672056 -0.108153 0.249769
C 0.654025 -1.524177 0.210255
C 0.464642 0.850078 -0.373315
C 2.042661 -1.378642 0.429855
C 1.845037 0.976300 -0.154192
C 5.935925 1.759907 0.324268
C 6.731662 1.403035 -0.940269
C 4.128949 0.097032 0.471609
C 8.209273 1.834347 -0.809730
H -7.008734 -0.115722 1.663337
H -4.735781 0.259764 1.008286
H -4.874976 1.467479 -0.298791
H -6.621125 -0.036921 -1.277139
H -3.944384 -1.451419 -0.638174
H -4.214733 -0.313002 -1.981648
H -9.033412 -0.381093 -0.661559
H -8.411340 -1.717379 0.356118
H -9.442326 -0.434140 1.076133
H -6.796658 2.305704 0.923842
H -8.103316 2.042835 -0.273087
H -8.452671 1.930281 1.478647
H -1.841044 -1.620802 -0.230211
H 0.190476 -2.511193 0.352506
H -0.144745 1.700385 -0.679310
H 2.324961 1.947668 -0.293397
H 5.940170 2.847100 0.512632
H 6.333225 1.218695 1.202426
H 6.265408 1.898401 -1.812956
H 6.669405 0.312026 -1.105504
H 8.299493 2.926779 -0.658196
H 8.698284 1.331231 0.045232
H 8.775702 1.573715 -1.721426
H 2.253110 -3.284796 0.902616


