%chk=000200108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200108

0 1
O 3.614630 -0.820627 -0.196893
O -5.877909 -1.133329 -0.638628
N 7.847291 -0.126716 1.961450
C 1.236355 -0.375107 -0.358303
C 0.457102 0.896874 -0.819429
C -0.189611 1.703840 0.330274
C -0.935003 0.824953 1.364153
C 2.625943 0.210212 0.052606
C 0.564170 -1.139694 0.793990
C 1.534372 1.756061 -1.531578
C 0.042092 -0.234251 1.908421
C 2.886850 1.409049 -0.881473
C -1.170615 2.762867 -0.208025
C 1.405078 -1.341366 -1.543163
C -2.229291 0.258411 0.823271
C -2.378380 2.134607 -0.910411
C -2.918694 0.907224 -0.227822
C -2.797053 -0.882058 1.403559
C 4.678057 -0.912948 0.753511
C -4.139131 0.400163 -0.683121
C -4.016120 -1.407260 0.964016
C -4.673229 -0.753493 -0.082573
C 5.739022 0.165926 0.460779
C 6.911324 0.001557 1.295573
C -6.527956 -2.308299 -0.099478
H -0.338918 0.591499 -1.532971
H 0.628138 2.235803 0.878415
H -1.225305 1.490198 2.222803
H 2.646310 0.500251 1.119915
H 1.274931 -1.882255 1.204229
H -0.284942 -1.727788 0.385490
H 1.316602 2.833510 -1.459721
H 1.551536 1.522229 -2.610144
H -0.451669 -0.847040 2.687855
H 0.883081 0.272686 2.419178
H 3.634114 1.130079 -1.646249
H 3.299949 2.268102 -0.332451
H -0.650197 3.446449 -0.905355
H -1.517796 3.396127 0.631941
H 2.056237 -2.181677 -1.265629
H 0.446698 -1.746456 -1.878639
H 1.884442 -0.852182 -2.397930
H -2.103164 1.860807 -1.953069
H -3.182352 2.894083 -1.008050
H -2.280334 -1.383623 2.224606
H 4.296402 -0.843445 1.786387
H 5.071507 -1.931736 0.564926
H -4.688456 0.876471 -1.491297
H -4.425405 -2.293493 1.432635
H 5.302614 1.181919 0.601191
H 6.017874 0.117731 -0.620221
H -5.898898 -3.191089 -0.244388
H -7.434857 -2.366349 -0.715113
H -6.778736 -2.154509 0.953848


%chk=000200108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200108

0 1
O 3.678244 -0.888262 -0.030721
O -6.073200 -1.011138 -0.566387
N 7.773023 0.383400 2.354237
C 1.275912 -0.435326 -0.487316
C 0.470659 0.852366 -0.876246
C -0.141962 1.618521 0.338771
C -0.871145 0.689230 1.354224
C 2.647843 0.170127 -0.059494
C 0.614699 -1.271304 0.638251
C 1.525385 1.734439 -1.629822
C 0.099730 -0.426110 1.820571
C 2.928732 1.304352 -1.086567
C -1.121871 2.735365 -0.103080
C 1.464592 -1.342107 -1.731993
C -2.224161 0.189376 0.815484
C -2.347567 2.162973 -0.848616
C -2.934232 0.917296 -0.189143
C -2.844709 -0.962281 1.357394
C 4.706354 -0.741010 0.986175
C -4.206499 0.473797 -0.611683
C -4.116322 -1.411520 0.939777
C -4.802948 -0.681260 -0.059556
C 5.825351 0.252529 0.541343
C 6.909856 0.336582 1.530869
C -6.733629 -2.190892 -0.005839
H -0.351415 0.558638 -1.555329
H 0.693286 2.099961 0.893079
H -1.096516 1.319911 2.243637
H 2.564647 0.592714 0.965919
H 1.345617 -2.025675 0.991396
H -0.237446 -1.831208 0.205555
H 1.338925 2.810541 -1.464523
H 1.467670 1.567555 -2.720201
H -0.374366 -1.083531 2.573104
H 0.947520 0.060102 2.345849
H 3.564247 0.896431 -1.893448
H 3.473012 2.152805 -0.632855
H -0.615060 3.481592 -0.744472
H -1.462070 3.274307 0.803886
H 2.105454 -2.206291 -1.486473
H 0.482147 -1.718189 -2.073229
H 1.935140 -0.805908 -2.575319
H -2.065928 1.912912 -1.892209
H -3.131190 2.940544 -0.932077
H -2.330780 -1.536473 2.136031
H 4.271351 -0.406479 1.951575
H 5.139924 -1.746295 1.122309
H -4.760321 1.025603 -1.379907
H -4.549567 -2.308194 1.392849
H 5.397799 1.259798 0.384850
H 6.235881 -0.085266 -0.428254
H -6.142535 -3.110285 -0.186578
H -7.696010 -2.260387 -0.534174
H -6.912855 -2.075476 1.081272


