%chk=000225876.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225876

0 1
O 2.057916 1.672797 -0.212845
N 3.552153 -0.016604 0.003154
C -2.768547 -0.090526 0.365992
C -3.137783 0.549200 -0.987832
C -3.863865 -1.090005 0.795809
C -4.509504 1.233854 -0.920113
C -5.236780 -0.407061 0.865904
C -1.401188 -0.801837 0.295810
C -5.601375 0.252307 -0.471703
C -0.242204 0.193389 0.180185
C 1.113243 -0.524058 0.134992
C 2.239771 0.475559 -0.039487
C 3.892697 -1.451596 0.147358
C 4.686155 0.932490 -0.177564
C 3.869329 -2.182992 -1.195880
C 5.350401 1.272364 1.155852
H -2.712051 0.718812 1.134471
H -2.364823 1.284830 -1.280144
H -3.141930 -0.221462 -1.780816
H -3.903194 -1.934653 0.082930
H -3.613609 -1.527312 1.779269
H -4.466159 2.090882 -0.220843
H -4.766203 1.658455 -1.908220
H -6.010081 -1.146199 1.145215
H -5.235410 0.354413 1.669334
H -1.386812 -1.504605 -0.558356
H -1.265495 -1.426208 1.199923
H -5.743933 -0.526126 -1.245291
H -6.569367 0.778499 -0.382306
H -0.357375 0.824605 -0.725973
H -0.256452 0.908565 1.027466
H 1.129852 -1.253840 -0.700493
H 1.260601 -1.114371 1.061819
H 3.188796 -1.934222 0.862553
H 4.903890 -1.537563 0.607910
H 5.421939 0.492357 -0.883863
H 4.291569 1.867024 -0.650941
H 2.879975 -2.143740 -1.667078
H 4.575980 -1.740061 -1.908787
H 4.138748 -3.238073 -1.076117
H 4.629851 1.725049 1.850863
H 5.769340 0.390286 1.650083
H 6.162533 1.994274 1.013762


%chk=000225876-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225876

0 1
O 2.157077 1.760399 0.168594
N 3.590939 -0.056937 -0.005521
C -2.803752 -0.033290 0.401369
C -3.170911 0.500965 -1.008784
C -3.902996 -1.006954 0.902518
C -4.579945 1.140376 -1.044293
C -5.312401 -0.370011 0.873188
C -1.410167 -0.712269 0.433882
C -5.660813 0.155815 -0.539527
C -0.224552 0.246132 0.183630
C 1.134933 -0.473219 0.290902
C 2.320636 0.497157 0.144340
C 3.873700 -1.508059 -0.027475
C 4.747701 0.862838 -0.138138
C 3.947416 -2.095134 -1.456147
C 5.389564 1.207099 1.223142
H -2.778208 0.836215 1.096720
H -2.418731 1.238768 -1.347494
H -3.136441 -0.346677 -1.727447
H -3.898609 -1.912737 0.258140
H -3.660074 -1.346797 1.929681
H -4.585477 2.045851 -0.402095
H -4.817319 1.477578 -2.072384
H -6.070434 -1.105474 1.207443
H -5.345988 0.474784 1.592672
H -1.394824 -1.533580 -0.315648
H -1.276365 -1.195207 1.426063
H -5.728255 -0.702451 -1.240708
H -6.654631 0.644894 -0.533752
H -0.302604 0.712224 -0.815911
H -0.248780 1.080579 0.908700
H 1.196868 -1.275864 -0.470667
H 1.206794 -0.977717 1.278338
H 3.109413 -2.041987 0.561713
H 4.838092 -1.673072 0.490821
H 5.489571 0.390482 -0.810077
H 4.382530 1.786944 -0.616822
H 2.981539 -1.983968 -1.980205
H 4.718937 -1.580198 -2.056280
H 4.201850 -3.170720 -1.421125
H 4.656208 1.723767 1.865101
H 5.741080 0.299802 1.748943
H 6.258030 1.876551 1.080601


