%chk=000216092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216092

0 1
O 3.861535 -0.604421 1.092938
N -1.791355 -0.373080 -0.040907
C -1.071167 -1.610681 -0.529122
C -2.061606 0.569216 -1.181006
C -3.080467 -0.713502 0.651367
C 0.299064 -1.225109 -1.144038
C -2.691007 1.870060 -0.655892
C -3.737875 0.562785 1.205447
C -3.998104 1.584043 0.092404
C 1.227128 -0.507703 -0.157340
C 2.498265 0.004332 -0.844514
C -0.865815 -2.607028 0.621732
C 3.569439 0.470193 0.166369
C 3.094610 1.596700 1.081314
C 4.871018 0.835186 -0.562450
H -1.666870 -2.123894 -1.332675
H -2.716665 0.119999 -1.958214
H -1.090441 0.807082 -1.670069
H -2.852582 -1.391389 1.501978
H -3.792178 -1.248801 -0.012812
H 0.136920 -0.584290 -2.033578
H 0.785850 -2.144302 -1.521311
H -2.867380 2.564416 -1.496364
H -1.975286 2.373032 0.025183
H -3.072900 1.010714 1.971362
H -4.679195 0.301039 1.720557
H -4.408617 2.517873 0.517814
H -4.763944 1.200792 -0.607494
H 1.501766 -1.185185 0.676480
H 0.681116 0.333604 0.318898
H 2.250060 0.841061 -1.523631
H 2.920166 -0.787631 -1.490984
H -1.795811 -3.108866 0.904866
H -0.473926 -2.101630 1.515500
H -0.144707 -3.383663 0.346053
H 2.273721 1.251192 1.725473
H 2.742673 2.461834 0.514317
H 3.897662 1.922362 1.753467
H 5.200989 0.047210 -1.244522
H 5.680438 0.994187 0.161497
H 4.763244 1.755657 -1.143577
H 4.111232 -1.417492 0.624486


%chk=000216092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216092

0 1
O 3.998228 -0.592747 1.169770
N -1.831966 -0.381247 -0.047413
C -1.098851 -1.598876 -0.534172
C -2.068399 0.605462 -1.137081
C -3.115554 -0.710435 0.632683
C 0.300157 -1.234385 -1.112364
C -2.716324 1.903176 -0.610457
C -3.791823 0.547355 1.216316
C -4.042530 1.602618 0.119277
C 1.228669 -0.487106 -0.129409
C 2.558903 -0.074802 -0.794065
C -0.948768 -2.658754 0.584425
C 3.642036 0.468061 0.180256
C 3.135097 1.630860 1.049841
C 4.913386 0.872978 -0.600767
H -1.680766 -2.073307 -1.372446
H -2.726214 0.166065 -1.935944
H -1.104188 0.855212 -1.610837
H -2.915364 -1.418721 1.453147
H -3.828261 -1.212708 -0.077579
H 0.187155 -0.636372 -2.038700
H 0.780537 -2.182965 -1.429593
H -2.880819 2.596130 -1.458496
H -2.012438 2.392778 0.090712
H -3.130758 0.974406 1.995516
H -4.740899 0.254169 1.705914
H -4.470167 2.526506 0.552975
H -4.783902 1.210666 -0.607987
H 1.450946 -1.125655 0.746807
H 0.692050 0.399109 0.256752
H 2.365063 0.693586 -1.571297
H 2.988599 -0.951215 -1.328978
H -1.896195 -3.181002 0.801908
H -0.582671 -2.195921 1.517934
H -0.217158 -3.424541 0.269640
H 2.319768 1.293306 1.710094
H 2.762649 2.458397 0.419540
H 3.953634 2.009400 1.686491
H 5.280779 0.035757 -1.226398
H 5.714700 1.157198 0.103690
H 4.715114 1.730433 -1.270093
H 4.365542 -1.366969 0.669391


