%chk=000212869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212869

0 1
O -1.764923 -2.244110 -1.041076
O 7.431056 0.196065 -0.372022
N 0.887186 0.174175 0.431289
N 4.643485 0.392140 0.235295
C -2.043555 -0.103011 0.045212
C -1.382964 0.155958 1.416847
C -1.098741 0.443192 -1.052911
C 0.029107 -0.446401 1.492831
C 0.327619 -0.113938 -0.930146
C -3.394137 0.582352 -0.114705
C 2.302952 -0.307949 0.542240
C -2.260832 -1.630830 -0.123852
C 3.223220 0.797355 -0.021915
C -3.124711 -2.303151 0.926042
C -4.245662 0.173608 -1.157572
C -3.801165 1.629615 0.722281
C 5.140606 -0.541802 -0.828689
C 5.537098 1.595329 0.308911
C 6.577364 -0.961757 -0.481213
C 6.965560 1.125753 0.627878
C -3.765575 -3.579813 0.396355
C -5.483621 0.790269 -1.344052
C -5.042643 2.246225 0.532935
C -5.888357 1.827618 -0.496635
H -1.304460 1.254475 1.574526
H -2.006115 -0.228913 2.242693
H -1.498400 0.190657 -2.054489
H -1.075060 1.549184 -0.985947
H -0.016015 -1.554515 1.421931
H 0.477657 -0.202037 2.481227
H 0.980216 0.384519 -1.679140
H 0.321992 -1.201555 -1.175694
H 2.566256 -0.477418 1.610024
H 2.482911 -1.272765 0.023978
H 3.000532 1.749625 0.509641
H 3.002283 0.984437 -1.093179
H -3.907849 -1.608422 1.293917
H -2.489324 -2.534259 1.807119
H -3.939598 -0.626890 -1.832662
H -3.151452 1.982945 1.522530
H 4.480323 -1.434620 -0.847324
H 5.116305 -0.092779 -1.845058
H 5.538057 2.193037 -0.627658
H 5.168753 2.254349 1.123920
H 6.620476 -1.529060 0.465176
H 7.055528 -1.532824 -1.295561
H 7.701795 1.944323 0.551499
H 7.024998 0.644107 1.619872
H -4.246146 -4.149824 1.198293
H -3.017076 -4.229784 -0.081252
H -4.526512 -3.362281 -0.363142
H -6.135040 0.463936 -2.153697
H -5.347121 3.058467 1.191442
H -6.854083 2.306993 -0.642214


%chk=000212869-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212869

0 1
O -2.038274 -2.159097 -1.261631
O 7.457194 0.021805 -0.557639
N 0.877305 0.250685 0.527363
N 4.681477 0.427993 0.216272
C -2.061668 -0.060817 0.029818
C -1.441924 0.222381 1.427203
C -1.063648 0.468509 -1.044647
C -0.013098 -0.340886 1.553876
C 0.369275 -0.059584 -0.836507
C -3.445860 0.612095 -0.161897
C 2.294540 -0.149731 0.711524
C -2.329118 -1.589667 -0.175751
C 3.272144 0.877823 0.099608
C -3.012305 -2.355433 0.960847
C -4.133473 0.434443 -1.394231
C -4.063357 1.401062 0.842182
C 5.059941 -0.573798 -0.815457
C 5.653059 1.552465 0.204010
C 6.485751 -1.084868 -0.554201
C 7.072487 1.017951 0.457247
C -3.604026 -3.706200 0.520194
C -5.389699 1.035452 -1.619153
C -5.321594 2.006265 0.617587
C -5.990683 1.827868 -0.613321
H -1.382090 1.318705 1.564858
H -2.072544 -0.181950 2.240576
H -1.404540 0.171501 -2.051266
H -1.057763 1.573391 -0.992439
H -0.036658 -1.462604 1.483403
H 0.389184 -0.089401 2.552744
H 1.034034 0.414688 -1.580415
H 0.390775 -1.161291 -1.029678
H 2.508105 -0.210319 1.794104
H 2.487796 -1.167879 0.289127
H 3.157555 1.825801 0.655722
H 2.997092 1.093743 -0.962472
H -3.786529 -1.705168 1.412450
H -2.252798 -2.515107 1.756191
H -3.685907 -0.187703 -2.178108
H -3.567847 1.557218 1.805130
H 4.356519 -1.425607 -0.780948
H 5.012922 -0.130652 -1.843343
H 5.640310 2.100914 -0.772196
H 5.383203 2.269100 1.002646
H 6.517122 -1.607800 0.426095
H 6.817337 -1.769479 -1.352475
H 7.822525 1.822552 0.379597
H 7.118357 0.557931 1.468133
H -4.029452 -4.245022 1.385527
H -2.831289 -4.338915 0.052240
H -4.403811 -3.560204 -0.226913
H -5.900615 0.883585 -2.576682
H -5.777121 2.617213 1.405401
H -6.966117 2.296041 -0.786210


