%chk=000273531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273531

0 1
O 2.342472 -2.332269 1.113933
O 2.023546 1.130085 -1.948297
N -2.054011 0.082947 -0.424630
N 2.549039 -0.560108 -0.408880
N 0.293966 3.641188 1.383201
C 0.361150 -1.485089 -0.053956
C 0.253012 -0.318961 -1.070691
C -0.558039 -1.188973 1.160820
C -0.717605 0.768503 -0.520864
C -2.000045 -1.025595 0.594862
C -0.233167 1.168990 0.875253
C -0.158898 0.146575 1.750338
C 1.837803 -1.563429 0.338374
C 1.670929 0.223083 -1.242848
C -3.151403 1.067152 -0.145657
C 3.977958 -0.341283 -0.309960
C 0.062039 2.530800 1.157985
C -4.492514 0.372595 -0.159754
C 4.821420 -1.409280 0.041904
C 4.507684 0.934865 -0.567551
C -4.881498 -0.390317 -1.271159
C -5.363047 0.509218 0.930892
C 6.197176 -1.189093 0.134469
C 5.886818 1.131720 -0.473816
C -6.132809 -1.010577 -1.289299
C -6.615992 -0.110813 0.905467
C 6.734202 0.075992 -0.123213
C -7.002552 -0.871161 -0.202238
H 0.062395 -2.454358 -0.518118
H -0.131562 -0.674735 -2.057679
H -0.507176 -2.013830 1.902543
H -0.777446 1.631827 -1.223403
H -2.316873 -1.949302 0.062690
H -2.717927 -0.875835 1.427294
H 0.144382 0.210523 2.787271
H -3.134891 1.830270 -0.961655
H -3.000415 1.624814 0.805800
H 4.413207 -2.398233 0.258856
H 3.858263 1.765755 -0.852697
H -4.198816 -0.500405 -2.114159
H -5.072681 1.100675 1.796863
H 6.854084 -2.013745 0.410658
H 6.301407 2.119498 -0.675919
H -6.432658 -1.602024 -2.153121
H -7.292211 0.000504 1.751746
H 7.807485 0.238716 -0.050584
H -7.978498 -1.352380 -0.219871


%chk=000273531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273531

0 1
O 2.416495 -2.369110 1.155440
O 1.936719 1.123981 -1.977552
N -2.049884 0.097433 -0.115135
N 2.537544 -0.581712 -0.420406
N 0.397060 3.785353 1.404692
C 0.363189 -1.466540 0.089904
C 0.206857 -0.321785 -0.938139
C -0.456846 -1.118931 1.381386
C -0.736184 0.772582 -0.345119
C -1.947926 -0.972660 0.927197
C -0.146227 1.248905 0.998073
C -0.009276 0.229615 1.906965
C 1.865680 -1.568916 0.365475
C 1.623101 0.190886 -1.205394
C -3.196183 1.019949 0.077762
C 3.967187 -0.371582 -0.404132
C 0.158180 2.622382 1.244352
C -4.540363 0.327372 -0.137734
C 4.839906 -1.485633 -0.359612
C 4.483437 0.946880 -0.429178
C -4.708307 -0.622441 -1.176578
C -5.651131 0.656285 0.676927
C 6.234578 -1.273377 -0.337360
C 5.880513 1.144010 -0.414033
C -5.965493 -1.224440 -1.401450
C -6.912474 0.058265 0.451497
C 6.760553 0.038620 -0.366558
C -7.073599 -0.884647 -0.589156
H 0.008647 -2.437736 -0.299032
H -0.240287 -0.659437 -1.888534
H -0.350034 -1.920037 2.129141
H -0.860542 1.597385 -1.063706
H -2.312229 -1.937996 0.526293
H -2.573811 -0.718436 1.808053
H 0.360315 0.369585 2.926589
H -3.082643 1.838789 -0.660319
H -3.191004 1.493017 1.088839
H 4.435677 -2.500106 -0.328512
H 3.806218 1.803110 -0.470690
H -3.842786 -0.881610 -1.796882
H -5.531238 1.384351 1.489322
H 6.908918 -2.135564 -0.298746
H 6.278453 2.164017 -0.436165
H -6.083779 -1.955879 -2.209149
H -7.763885 0.323692 1.088301
H 7.844165 0.197754 -0.351783
H -8.049561 -1.351145 -0.763954


