%chk=000200177.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200177

0 1
O -0.002692 -0.756433 1.863236
O 1.370267 -2.172102 -2.331158
N 3.044547 -0.734711 0.436993
N 0.925700 -1.730954 -0.045175
N -0.562339 -1.027649 -1.651528
C -1.056710 -0.405085 -0.381790
C 3.331737 -0.179771 1.796750
C 4.251206 -0.794598 -0.444806
C 2.293859 -2.015844 0.484851
C 3.936442 1.227625 1.668174
C 4.857766 0.610885 -0.588781
C 5.187740 1.215735 0.781397
C -0.015720 -0.936803 0.674704
C 0.682413 -1.679256 -1.469643
C -2.437690 -0.902536 0.006796
C -0.966493 1.108546 -0.502398
C -2.939610 -0.541074 1.269721
C -2.109694 1.868691 -0.784014
C -3.212756 -1.697422 -0.845547
C 0.279045 1.745460 -0.379152
C -4.208180 -0.964429 1.666331
C -2.010965 3.255782 -0.928430
C -4.485239 -2.118541 -0.442244
C 0.371346 3.131625 -0.522782
C -4.985708 -1.752199 0.809154
C -0.772182 3.889568 -0.796578
H 4.012293 -0.831531 2.385218
H 2.363004 -0.123937 2.349027
H 3.923493 -1.165364 -1.443765
H 5.019521 -1.501101 -0.063714
H 2.738523 -2.813486 -0.159284
H 2.163564 -2.420004 1.518132
H 4.177302 1.618415 2.673927
H 3.181234 1.916435 1.239867
H 4.143035 1.267143 -1.124503
H 5.764553 0.558861 -1.218817
H 5.578110 2.243048 0.659893
H 5.994707 0.636684 1.269130
H -0.804464 -0.598788 -2.538997
H -2.325371 0.060161 1.946104
H -3.082188 1.384154 -0.886808
H -2.832976 -2.005319 -1.820034
H 1.186563 1.168079 -0.170372
H -4.590990 -0.684323 2.646683
H -2.903453 3.841868 -1.143093
H -5.083375 -2.738296 -1.108575
H 1.338724 3.621838 -0.421372
H -5.975448 -2.081859 1.120200
H -0.697049 4.970213 -0.906827


%chk=000200177-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200177

0 1
O 0.019309 -0.491249 1.816566
O 1.344516 -2.030559 -2.421879
N 3.183623 -0.828934 0.534485
N 0.919954 -1.470057 -0.135541
N -0.600672 -0.870598 -1.684422
C -1.119917 -0.267593 -0.432578
C 3.586246 -0.432997 1.904164
C 4.288095 -0.823954 -0.453142
C 2.223162 -1.919194 0.425502
C 4.237678 0.966199 1.891546
C 4.951518 0.567926 -0.514298
C 5.415995 1.016505 0.890962
C -0.019000 -0.738105 0.587808
C 0.620000 -1.512086 -1.536836
C -2.474675 -0.851266 0.005576
C -1.114167 1.275600 -0.560194
C -3.081912 -0.362525 1.191452
C -2.290775 1.976365 -0.921581
C -3.102404 -1.894837 -0.714020
C 0.102528 1.993241 -0.421657
C -4.304780 -0.903609 1.639312
C -2.254804 3.372650 -1.136331
C -4.332530 -2.431535 -0.267220
C 0.135160 3.388200 -0.629528
C -4.938877 -1.936882 0.908807
C -1.042871 4.083833 -0.989243
H 4.314951 -1.164004 2.340456
H 2.683686 -0.428179 2.540558
H 3.876383 -1.098678 -1.440760
H 5.068156 -1.583914 -0.189051
H 2.575626 -2.716791 -0.254603
H 2.000360 -2.352536 1.416876
H 4.580427 1.221072 2.912859
H 3.470682 1.710674 1.599907
H 4.214754 1.294513 -0.910036
H 5.805585 0.538347 -1.217950
H 5.844615 2.035875 0.849776
H 6.224192 0.341227 1.242610
H -0.959381 -0.625996 -2.606248
H -2.585869 0.426566 1.765857
H -3.237222 1.434667 -1.024776
H -2.625126 -2.295860 -1.614135
H 1.025823 1.466813 -0.147769
H -4.761376 -0.522401 2.559410
H -3.172247 3.902863 -1.415098
H -4.810826 -3.237390 -0.835230
H 1.078117 3.933465 -0.510708
H -5.890324 -2.354832 1.256383
H -1.015985 5.167362 -1.149936


