%chk=000177330.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177330

0 1
O -3.412187 -4.794860 1.402198
O 2.040001 -0.479178 1.255847
N -4.127191 0.416163 -0.381920
N 1.956041 2.733096 -0.147655
N 3.652880 0.532201 0.001733
N 6.138152 -2.223550 -0.582169
C -2.793015 0.928060 -0.257757
C -1.920593 -0.159970 0.182576
C -2.767437 -1.323619 0.424366
C -4.112133 -0.931721 0.128670
C -2.266452 2.168070 -0.581808
C -0.849593 2.356058 -0.424969
C -0.004302 1.281978 -0.003903
C -0.569710 0.008510 0.298437
C -2.480149 -2.613758 0.853202
C -5.308906 1.254458 -0.092789
C -5.175571 -1.828688 0.260616
C -3.095566 3.299036 -1.095835
C 1.407776 1.543289 0.101428
C -0.232040 3.623813 -0.676592
C -3.567041 -3.492687 0.981708
C -4.896023 -3.124188 0.694450
C 2.374011 0.443523 0.524634
C 1.127649 3.774163 -0.526443
C 4.685940 -0.480862 0.320961
C 4.956455 -1.365585 -0.917295
C 7.406020 -1.606031 -1.071778
C 5.979483 -3.599955 -1.136146
H 0.078591 -0.810509 0.637513
H -1.462752 -2.917451 1.078672
H -5.364706 1.576234 0.960647
H -5.286291 2.157899 -0.736596
H -6.228538 0.696609 -0.338941
H -6.195839 -1.533685 0.027849
H -3.199687 4.091965 -0.341483
H -2.649888 3.744882 -1.997578
H -4.111603 2.984251 -1.386793
H -0.845362 4.469999 -0.982165
H -5.687081 -3.862494 0.815989
H 1.639614 4.726666 -0.699991
H 5.613358 0.030880 0.657890
H 4.346935 -1.120175 1.173488
H 3.944704 1.340342 -0.545282
H 4.058542 -1.989033 -1.118799
H 5.104242 -0.743014 -1.823411
H -2.468567 -5.007390 1.604862
H 7.511460 -0.599517 -0.637289
H 7.490709 -1.522392 -2.164991
H 8.255494 -2.205359 -0.704913
H 6.842782 -4.211316 -0.826309
H 5.893357 -3.654970 -2.230685
H 5.084025 -4.062985 -0.689253


%chk=000177330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177330

0 1
O -3.778471 -4.832032 1.551916
O 2.027326 -1.117268 0.424492
N -4.240011 0.547145 0.001474
N 2.008612 2.362359 -0.574992
N 3.685092 0.479805 0.073829
N 6.330951 -2.175542 -0.592507
C -2.886777 0.917728 -0.168941
C -2.066152 -0.242879 0.166819
C -2.971291 -1.333075 0.503367
C -4.298441 -0.817946 0.388380
C -2.303145 2.127853 -0.596478
C -0.861180 2.192820 -0.585578
C -0.037271 1.038672 -0.217909
C -0.676131 -0.189105 0.136763
C -2.753852 -2.673177 0.891456
C -5.430580 1.400749 -0.031096
C -5.421920 -1.630061 0.651562
C -3.094517 3.329718 -1.094438
C 1.398901 1.197267 -0.239190
C -0.164821 3.399200 -0.932867
C -3.880803 -3.481381 1.159116
C -5.200139 -2.967674 1.039702
C 2.373136 0.073526 0.116007
C 1.228820 3.442092 -0.913715
C 4.797211 -0.429987 0.361199
C 5.191670 -1.276113 -0.878244
C 7.632176 -1.478730 -0.572098
C 6.357934 -3.364761 -1.467540
H -0.048644 -1.048997 0.382988
H -1.735120 -3.070356 0.982373
H -6.213765 0.943102 0.595680
H -5.207969 2.392897 0.391769
H -5.835473 1.524458 -1.053694
H -6.446940 -1.259706 0.551870
H -3.148895 4.139207 -0.339899
H -2.622857 3.759480 -1.996036
H -4.121689 3.064304 -1.378930
H -0.715121 4.304546 -1.201236
H -6.037713 -3.638498 1.251923
H 1.770186 4.358644 -1.170108
H 5.653899 0.169138 0.717996
H 4.496445 -1.123450 1.165132
H 3.820932 1.458785 -0.212573
H 4.314380 -1.891430 -1.146069
H 5.397575 -0.593561 -1.742913
H -2.830426 -5.106582 1.615328
H 7.620782 -0.657567 0.165473
H 7.912988 -1.045280 -1.567121
H 8.426190 -2.185453 -0.270931
H 7.164861 -4.046277 -1.141417
H 6.530162 -3.122158 -2.547583
H 5.399883 -3.907247 -1.386311


