%chk=000117094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117094

0 1
O -4.998274 -2.951326 1.166694
O 5.364736 1.785129 -2.067556
N -3.046246 1.891277 -0.525433
N -1.733086 1.580627 -0.603176
N 3.416927 -1.539570 1.828435
N 2.103109 -1.507974 1.517486
C -2.917595 -0.242144 0.094486
C -3.832105 0.818660 -0.104226
C -1.609149 0.251061 -0.220639
C -0.503005 -0.652672 -0.078971
C -3.189342 -1.559194 0.523863
C 0.871408 -0.214456 -0.378274
C 3.285138 -0.196414 0.068002
C -3.513058 3.276395 -0.872848
C 1.977504 -0.670052 0.413329
C -5.241608 0.576606 0.149703
C 4.203996 -0.762442 0.985808
C 3.557227 0.679063 -1.004201
C -5.601931 -0.729633 0.584815
C -4.622406 -1.856588 0.794408
C -0.786687 -1.939824 0.343204
C -2.110489 -2.404383 0.644057
C 5.612964 -0.438320 0.854947
C 1.155490 0.644202 -1.427073
C 5.970819 0.440169 -0.206773
C 2.477722 1.094220 -1.750638
C 4.989982 1.041099 -1.182033
C -3.189703 3.573159 -2.335823
C -2.874168 4.283821 0.080702
C -6.235186 1.552443 -0.012660
C -6.951781 -1.010721 0.842215
C 6.605591 -0.941675 1.707304
C 3.865505 -2.348965 2.968290
C 7.319287 0.784449 -0.376980
C -7.572775 1.249345 0.249845
C -7.934017 -0.031484 0.677338
C 7.943152 -0.582756 1.516141
C 8.302757 0.278595 0.476643
H -4.636245 3.279898 -0.727568
H 0.030704 -2.656558 0.470697
H -2.245015 -3.437625 0.971997
H 0.336975 1.019540 -2.049577
H 2.612828 1.772645 -2.596070
H -2.104855 3.552791 -2.523913
H -3.550497 4.566798 -2.626008
H -3.643095 2.840374 -3.015313
H -3.109406 4.064707 1.130098
H -3.214913 5.303119 -0.133857
H -1.775506 4.282041 -0.002735
H -5.960675 2.557085 -0.346662
H -7.225645 -2.018441 1.177259
H 6.345788 -1.612259 2.520752
H 3.004448 -2.853485 3.455939
H 4.572422 -3.132796 2.637314
H 4.356165 -1.713123 3.729300
H 7.591878 1.461262 -1.195771
H -8.337277 2.015828 0.120407
H -8.976993 -0.267219 0.881757
H 8.709048 -0.978740 2.183685
H 9.345263 0.556231 0.330161


%chk=000117094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117094

0 1
O -4.964906 -2.691553 1.909687
O 5.360271 2.610338 -1.158759
N -3.185877 1.885585 -0.695741
N -1.809087 1.687371 -0.590554
N 3.576191 -1.936632 1.465254
N 2.192062 -1.754988 1.363549
C -2.971325 -0.035838 0.389810
C -3.936446 0.862958 -0.113978
C -1.674105 0.484600 0.089383
C -0.502089 -0.255359 0.505914
C -3.213777 -1.244083 1.077569
C 0.879887 0.185010 0.250809
C 3.345255 -0.027578 0.366966
C -3.606551 3.135943 -1.392617
C 2.051403 -0.553336 0.672877
C -5.359377 0.567958 0.061371
C 4.311220 -0.916113 0.875523
C 3.595449 1.175697 -0.326470
C -5.668980 -0.662782 0.761343
C -4.627888 -1.621376 1.299660
C -0.768514 -1.475220 1.200451
C -2.072897 -1.965456 1.483628
C 5.729694 -0.636248 0.709153
C 1.149437 1.402103 -0.448978
C 6.052627 0.585676 0.004343
C 2.453604 1.893778 -0.735945
C 5.015293 1.545220 -0.544664
C -3.103611 3.122209 -2.852045
C -3.112401 4.369686 -0.606575
C -6.444282 1.372955 -0.388285
C -7.023048 -1.022340 0.974041
C 6.790394 -1.460107 1.178510
C 4.045950 -3.139312 2.157492
C 7.413037 0.925406 -0.197320
C -7.781093 0.992190 -0.163684
C -8.078242 -0.210953 0.520716
C 8.134059 -1.097521 0.963537
C 8.450453 0.098822 0.273561
H -4.706625 3.130196 -1.393742
H 0.090652 -2.063743 1.532992
H -2.200447 -2.910070 2.021745
H 0.288984 1.988108 -0.782704
H 2.577860 2.836277 -1.278714
H -2.001673 3.100247 -2.873683
H -3.452393 4.030536 -3.374582
H -3.481016 2.238603 -3.395873
H -3.502290 4.367255 0.426402
H -3.454531 5.292301 -1.107979
H -2.010865 4.375839 -0.563232
H -6.260712 2.309144 -0.920085
H -7.211020 -1.960121 1.507433
H 6.571978 -2.388413 1.713491
H 3.155485 -3.694346 2.483781
H 4.643297 -3.773255 1.479551
H 4.652608 -2.871092 3.039689
H 7.623231 1.856343 -0.734351
H -8.592164 1.634816 -0.523210
H -9.118224 -0.505420 0.694437
H 8.935997 -1.745825 1.333129
H 9.496177 0.377714 0.108273


