%chk=000217317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217317

0 1
O -0.562097 -0.321180 -0.223441
O -1.099187 1.125428 1.449027
N 7.217321 0.580654 -0.192531
C 5.080841 -0.578844 0.259369
C 3.584239 -0.485709 0.167314
C 5.733609 0.742221 -0.189041
C 2.829886 -0.077451 1.276975
C 2.932956 -0.798085 -1.039800
C 0.821608 -0.302531 -0.009447
C -2.830035 0.126898 0.056062
C 1.437327 0.017335 1.201664
C 1.546847 -0.707528 -1.141747
C -3.881464 1.039161 0.295129
C -1.467006 0.410459 0.550288
C -3.078242 -1.068527 -0.644917
C -5.169546 0.725011 -0.176072
C -3.650781 2.320406 1.016898
C -4.359249 -1.364993 -1.101980
C -5.405581 -0.463168 -0.864790
H 5.397971 -0.834889 1.289749
H 5.466071 -1.410145 -0.370551
H 5.378776 1.575711 0.454873
H 5.413498 0.982746 -1.228302
H 3.328690 0.170448 2.213462
H 3.517208 -1.111912 -1.904943
H 0.851724 0.345164 2.062436
H 1.024808 -0.943530 -2.066216
H -2.251290 -1.761899 -0.827395
H -5.989380 1.419750 0.000953
H -3.074729 3.028365 0.399864
H -4.578420 2.824907 1.312920
H -3.052574 2.171255 1.936077
H -4.547832 -2.291208 -1.641179
H -6.410202 -0.693602 -1.222192
H 7.562587 0.399524 0.744798
H 7.664249 1.433857 -0.514212


%chk=000217317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217317

0 1
O -0.548740 -0.243595 -0.200784
O -1.242154 1.358493 1.370027
N 7.361366 0.385256 -0.336797
C 5.186185 -0.500406 0.479471
C 3.673366 -0.427501 0.360722
C 5.897525 0.525233 -0.445357
C 2.913899 0.468852 1.152680
C 2.979358 -1.224954 -0.587389
C 0.853237 -0.222309 0.067863
C -2.882958 0.253247 -0.081952
C 1.511006 0.587187 1.024295
C 1.582648 -1.128004 -0.736558
C -4.037093 0.911469 0.462553
C -1.522098 0.542060 0.459349
C -3.033590 -0.680450 -1.146913
C -5.301444 0.593150 -0.098316
C -3.981767 1.918914 1.595794
C -4.300036 -0.974613 -1.683046
C -5.442984 -0.332371 -1.153790
H 5.497260 -0.305191 1.525583
H 5.560723 -1.504989 0.211566
H 5.512940 1.545454 -0.201373
H 5.607264 0.319486 -1.492978
H 3.424350 1.090120 1.899026
H 3.538777 -1.933132 -1.210398
H 0.945760 1.279967 1.647009
H 1.043436 -1.745098 -1.461854
H -2.139382 -1.166801 -1.542469
H -6.191461 1.087229 0.308176
H -3.350826 2.787267 1.337872
H -4.997944 2.274182 1.839327
H -3.527034 1.486530 2.504235
H -4.396276 -1.694698 -2.502401
H -6.437388 -0.550160 -1.559517
H 7.733342 0.584548 0.597255
H 7.893332 0.859726 -1.071806


