%chk=000206022.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206022

0 1
O -5.938248 0.923302 0.599124
O 5.937813 -0.913428 0.612823
N -8.621063 0.170867 0.311593
N 8.621018 -0.163097 0.323181
N -8.094026 -0.955927 -1.660692
N 8.096273 0.949827 -1.657606
C -3.963397 -0.038110 -0.150838
C 3.963890 0.042957 -0.145968
C -6.212677 -0.104669 -0.349014
C 6.213398 0.107937 -0.342093
C -7.628118 -0.300047 -0.624419
C 7.629164 0.301286 -0.617270
C -9.947733 -0.089478 -0.342066
C 9.948448 0.092808 -0.330704
C -4.543312 0.942586 0.703037
C 4.542761 -0.931865 0.715315
C -5.070515 -0.693007 -0.815847
C 5.071815 0.693148 -0.814247
C -9.579891 -0.917753 -1.610564
C 9.582074 0.911947 -1.605540
C -1.804619 0.674721 0.628692
C 1.804149 -0.664244 0.636086
C -2.570637 -0.169117 -0.182299
C 2.571179 0.173874 -0.179885
C -3.801052 1.797524 1.519791
C 3.799499 -1.781068 1.537126
C -2.420612 1.647197 1.463092
C 2.419136 -1.630996 1.477862
C -0.335946 0.585670 0.630224
C 0.335493 -0.575052 0.635442
H -10.494450 0.837765 -0.588298
H -10.567191 -0.676346 0.366349
H 10.495657 -0.836058 -0.569576
H 10.566898 0.684870 0.374275
H -9.968412 -1.955185 -1.554436
H -9.966450 -0.469727 -2.546929
H 9.970596 1.949733 -1.556452
H 9.969652 0.457174 -2.538229
H -4.995225 -1.487073 -1.539303
H 4.997405 1.482193 -1.543265
H -8.484390 1.099589 0.703256
H 8.483922 -1.089187 0.720905
H -2.102408 -0.906674 -0.831543
H 2.103769 0.906963 -0.834757
H -4.282068 2.532316 2.158761
H 4.279720 -2.511484 2.181690
H -1.787788 2.286533 2.080549
H 1.785580 -2.265997 2.099030
H 0.185307 1.547198 0.642555
H -0.185889 -1.536396 0.655383


%chk=000206022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206022

0 1
O -5.999224 1.207658 -0.044529
O 5.999563 -1.202145 -0.029469
N -8.725459 0.644984 -0.041303
N 8.725792 -0.639461 -0.026694
N -8.355563 -1.635878 -0.027975
N 8.355903 1.641438 -0.029379
C -4.109616 -0.148494 -0.036256
C 4.109954 0.154029 -0.031918
C -6.390186 -0.169119 -0.036217
C 6.390523 0.174657 -0.029772
C -7.826782 -0.420921 -0.035138
C 7.827119 0.426461 -0.028852
C -10.109600 0.127913 -0.045339
C 10.109946 -0.122436 -0.032092
C -4.589340 1.198024 -0.044326
C 4.589679 -1.192512 -0.030730
C -5.285719 -0.999329 -0.031210
C 5.286056 1.004880 -0.031241
C -9.847246 -1.431001 -0.027605
C 9.847584 1.436568 -0.026078
C -1.824815 0.727946 -0.041027
C 1.825155 -0.722429 -0.033190
C -2.715676 -0.380124 -0.034651
C 2.716013 0.385661 -0.033133
C -3.750088 2.318730 -0.050660
C 3.750429 -2.313238 -0.030463
C -2.364867 2.059519 -0.048832
C 2.365208 -2.054024 -0.031637
C -0.358521 0.586358 -0.039905
C 0.358860 -0.580841 -0.034565
H -10.660950 0.448936 -0.949789
H -10.673401 0.467442 0.844296
H 10.662855 -0.450008 -0.933225
H 10.672207 -0.455510 0.860963
H -10.277082 -1.910231 0.870776
H -10.281550 -1.931895 -0.911715
H 10.276607 1.922413 0.869125
H 10.282691 1.930918 -0.913475
H -5.331653 -2.085660 -0.024801
H 5.331990 2.091230 -0.031800
H -8.456343 1.625459 -0.052374
H 8.456682 -1.619991 -0.030897
H -2.333006 -1.405392 -0.028370
H 2.333340 1.410947 -0.033661
H -4.147108 3.337121 -0.056622
H 4.147451 -3.331645 -0.029328
H -1.667458 2.905556 -0.053607
H 1.667802 -2.900076 -0.031516
H 0.189526 1.539513 -0.044275
H -0.189185 -1.534001 -0.031218


