%chk=000197574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197574

0 1
O 1.364801 4.079807 1.202510
O 1.378638 -1.035977 -0.056001
O -4.073047 2.538087 -1.582820
O -3.425046 -4.600809 1.730825
N 0.980645 1.918799 0.526719
N 1.337198 -3.231031 -0.684321
N -2.225327 3.462971 -0.605231
N -2.025689 -2.986900 0.915280
C 4.084951 1.865211 -0.617601
C 4.083243 0.352018 -0.368992
C 4.225937 2.678776 0.674938
C 3.662427 -0.421581 -1.625572
C 3.086450 2.459521 1.677867
C 3.283716 -1.876309 -1.312169
C 1.752952 2.924012 1.122104
C 1.935867 -1.967183 -0.624888
C -0.328397 2.108715 -0.019595
C 0.094964 -3.572669 -0.048152
C -0.949906 3.343822 -0.069861
C -0.837562 -2.615513 0.310439
C -1.011507 0.949784 -0.527362
C -0.173326 -4.961902 0.208527
C -2.256548 1.066947 -1.057527
C -1.341386 -5.329273 0.795066
C -2.954945 2.340891 -1.131717
C -2.356163 -4.365071 1.196365
C -2.854319 4.805247 -0.633583
C -2.985703 -1.924874 1.301760
H 4.911201 2.131837 -1.305990
H 3.156494 2.166071 -1.145150
H 5.081739 0.020996 -0.028580
H 3.385656 0.110073 0.462036
H 5.186979 2.434931 1.170557
H 4.283150 3.758552 0.419612
H 2.801686 0.084948 -2.110912
H 4.481708 -0.408242 -2.370550
H 3.054378 1.400190 2.002699
H 3.288346 3.048578 2.600322
H 3.295679 -2.463941 -2.253040
H 4.056561 -2.336909 -0.658937
H 1.368357 0.965725 0.419463
H 1.803809 -3.999496 -1.163638
H -0.457800 4.257000 0.313256
H -0.658611 -1.535049 0.135940
H -0.506254 -0.028347 -0.472874
H 0.570406 -5.710192 -0.071840
H -2.802925 0.219167 -1.469706
H -1.589138 -6.371149 1.006293
H -3.868704 4.732483 -1.082427
H -2.962313 5.213530 0.384604
H -2.263050 5.506995 -1.244140
H -3.900103 -2.386573 1.734783
H -2.553818 -1.256375 2.065111
H -3.294153 -1.325016 0.429101


%chk=000197574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197574

0 1
O 1.296173 3.909186 1.366016
O 0.814672 -0.913190 -0.369019
O -3.694411 3.924275 -2.773736
O -2.470092 -5.659209 2.639520
N 0.549813 1.952790 0.310972
N 1.335621 -3.166264 -0.624247
N -1.939798 4.290773 -1.230363
N -1.541553 -3.690333 1.715484
C 4.051639 1.734504 -0.178752
C 3.901110 0.215144 -0.471067
C 3.880468 2.103099 1.316867
C 3.172936 -0.082121 -1.804606
C 2.456049 1.813421 1.875682
C 2.657246 -1.533171 -1.906775
C 1.385568 2.652043 1.172724
C 1.535529 -1.826160 -0.898950
C -0.519052 2.487563 -0.462498
C 0.350354 -3.768543 0.214278
C -0.883521 3.834791 -0.458982
C -0.613665 -3.047983 0.918715
C -1.272906 1.584622 -1.293180
C 0.355815 -5.201684 0.339504
C -2.326626 2.044831 -2.064274
C -0.571761 -5.845575 1.137796
C -2.734299 3.443104 -2.084588
C -1.593493 -5.125574 1.888981
C -2.283527 5.730201 -1.185481
C -2.547317 -2.877628 2.440692
H 5.038682 2.094688 -0.527725
H 3.297887 2.296596 -0.765348
H 4.894699 -0.276185 -0.467780
H 3.325992 -0.254204 0.349514
H 4.617482 1.546902 1.930254
H 4.089509 3.180502 1.456320
H 2.308149 0.600315 -1.903632
H 3.839927 0.125892 -2.662995
H 2.221202 0.734605 1.810852
H 2.434821 2.092883 2.944870
H 2.253201 -1.713970 -2.924381
H 3.489481 -2.251837 -1.762915
H 0.726593 0.944439 0.173584
H 1.968696 -3.821699 -1.089624
H -0.344338 4.558701 0.154041
H -0.661431 -1.960532 0.861351
H -0.997442 0.523527 -1.307444
H 1.105286 -5.791117 -0.205484
H -2.908156 1.372397 -2.700562
H -0.581885 -6.933161 1.243312
H -3.134459 5.882471 -1.867090
H -2.569017 6.025037 -0.161054
H -1.425672 6.340144 -1.516954
H -3.191139 -3.575888 2.996607
H -2.049806 -2.191086 3.146659
H -3.157031 -2.297028 1.727911


