%chk=000211957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211957

0 1
O 0.117877 -2.161985 0.094684
O 0.316326 1.256185 -2.382882
O 5.103181 2.706821 -1.819481
O 4.454226 -0.859864 1.388618
O 6.060679 1.171216 0.442441
N -4.508163 -0.158466 -0.256412
N -1.691680 -1.037814 -0.672539
C -3.981272 -1.493304 0.153745
C -3.477022 0.672940 -0.959676
C -2.487399 -1.463732 0.514490
C -2.408302 -0.186445 -1.657655
C -5.348647 0.542415 0.664477
C -0.380606 -1.470638 -0.789045
C 0.409903 -1.085335 -2.023785
C -5.579207 1.928964 0.511348
C -6.067688 -0.160224 1.658973
C 0.957052 0.331856 -1.932269
C -6.504198 2.577666 1.329653
C -6.987243 0.506163 2.465868
C 2.303458 0.503745 -1.303052
C -7.211231 1.877699 2.311215
C 2.703181 -0.319478 -0.240860
C 3.134805 1.506331 -1.790609
C 4.415879 1.686666 -1.219637
C 3.957859 -0.122458 0.340397
C 4.844238 0.877308 -0.148255
C 6.429249 3.035795 -1.327583
C 3.598896 -1.892929 1.948129
C 6.951145 0.035983 0.624072
H -4.160703 -2.180897 -0.706975
H -4.562861 -1.913582 1.007431
H -2.980703 1.388143 -0.262878
H -4.012087 1.275727 -1.731411
H -2.137340 -2.468392 0.852042
H -2.292546 -0.760328 1.356187
H -2.877077 -0.835810 -2.432417
H -1.689328 0.495714 -2.179238
H -0.195490 -1.193212 -2.947917
H 1.243027 -1.817761 -2.139707
H -5.059417 2.505333 -0.247968
H -5.913434 -1.230369 1.793692
H -6.674962 3.646548 1.199194
H -7.536074 -0.049879 3.225852
H -7.927404 2.392184 2.944714
H 2.030973 -1.094805 0.139213
H 2.819002 2.166697 -2.600595
H 7.111068 2.201066 -1.510318
H 6.678414 3.912086 -1.936757
H 6.386948 3.279238 -0.259118
H 2.679195 -1.450978 2.345437
H 3.383545 -2.658834 1.196857
H 4.228979 -2.286929 2.754456
H 7.858595 0.521822 0.997714
H 6.531653 -0.648376 1.372928
H 7.123030 -0.471086 -0.326887


%chk=000211957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211957

0 1
O 0.314980 -2.191529 0.413728
O 0.455872 0.964887 -2.692102
O 5.101339 2.754304 -1.665352
O 4.824431 -1.393111 0.909223
O 6.275601 0.908265 0.113701
N -4.129433 0.204341 0.411391
N -1.525131 -0.940323 -0.246734
C -3.692236 -1.086522 0.974238
C -3.202229 0.874994 -0.519011
C -2.159256 -1.150987 1.079197
C -2.302758 -0.149125 -1.235615
C -5.365194 0.776708 0.754792
C -0.294240 -1.517414 -0.485003
C 0.328993 -1.324433 -1.883855
C -5.657380 2.142379 0.445096
C -6.372999 0.013684 1.424413
C 1.045634 0.035751 -2.054469
C -6.900959 2.708623 0.790739
C -7.607522 0.598989 1.771048
C 2.401550 0.218088 -1.471813
C -7.889236 1.949134 1.458841
C 2.966442 -0.747088 -0.594489
C 3.121066 1.401477 -1.774749
C 4.406291 1.608795 -1.242350
C 4.237683 -0.528886 -0.029734
C 4.999508 0.631405 -0.382496
C 5.590813 3.673364 -0.613953
C 4.027626 -2.552468 1.342069
C 7.298862 -0.162591 0.077202
H -4.065482 -1.948388 0.377554
H -4.099688 -1.196095 1.996400
H -2.568309 1.629888 -0.004168
H -3.783030 1.407734 -1.294959
H -1.834647 -2.132907 1.463395
H -1.797895 -0.383645 1.792182
H -2.938095 -0.824312 -1.845755
H -1.619032 0.391589 -1.910346
H -0.437509 -1.386290 -2.673135
H 1.039487 -2.155405 -2.016051
H -4.905335 2.773013 -0.039169
H -6.208362 -1.044813 1.649049
H -7.092437 3.759680 0.544161
H -8.361259 -0.013507 2.280014
H -8.851575 2.396278 1.727798
H 2.380061 -1.622628 -0.301592
H 2.685726 2.151773 -2.440098
H 6.305388 3.164150 0.053008
H 6.083632 4.491708 -1.160427
H 4.738431 4.071777 -0.030202
H 3.051383 -2.236679 1.753406
H 3.861161 -3.257395 0.505600
H 4.632977 -3.033948 2.123841
H 8.224801 0.328216 0.412633
H 7.021635 -0.989486 0.748497
H 7.420157 -0.532621 -0.957688


