%chk=000207045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207045

0 1
O -0.141412 -0.348007 0.160317
O -0.388886 0.193679 -2.045635
O 1.552448 -3.754874 1.415418
O -0.250487 -2.609613 1.098304
N 1.452558 1.876940 -0.602572
N 0.962412 -2.734279 1.093710
C 2.054949 0.698729 -0.185475
C 3.463950 0.556935 -0.075691
C 1.213236 -0.420584 0.180093
C 1.783090 -1.588630 0.680945
C 4.020198 -0.665367 0.419184
C 3.206502 -1.698038 0.795291
C 4.271939 1.675912 -0.459976
C -2.289084 0.254716 -0.503750
C -4.944261 0.559696 0.326399
C -0.905362 0.100997 -0.972862
C -3.137612 1.143716 -1.187442
C -2.768386 -0.483797 0.591804
C 3.670213 2.829508 -0.891876
C -4.457273 1.294873 -0.771154
C -4.091943 -0.330930 1.000753
C 2.235888 2.894116 -0.940777
C -6.364072 0.712434 0.758120
H 5.104066 -0.753602 0.494761
H 3.613449 -2.639241 1.186762
H 5.357475 1.587626 -0.400826
H -2.757424 1.709743 -2.041020
H -2.094895 -1.180428 1.111412
H 4.250282 3.699436 -1.196820
H -5.115502 1.982703 -1.299022
H -4.463488 -0.907986 1.846624
H 1.740660 3.817768 -1.269067
H -7.008932 -0.009922 0.232568
H -6.764342 1.713574 0.546661
H -6.497556 0.535597 1.834738


%chk=000207045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207045

0 1
O -0.114437 -0.521425 0.354411
O -0.380514 -0.030296 -1.934480
O 1.909623 -4.141249 0.556528
O 0.118859 -3.008752 1.401211
N 1.305926 1.792746 -0.187065
N 1.278877 -3.045865 0.843974
C 2.019729 0.620310 -0.007943
C 3.461841 0.559554 -0.073310
C 1.271280 -0.582401 0.278018
C 1.972849 -1.776197 0.526992
C 4.131336 -0.684260 0.164937
C 3.400663 -1.827732 0.461437
C 4.156527 1.777102 -0.371073
C -2.277201 0.195265 -0.403366
C -4.997845 0.739086 0.246963
C -0.878917 -0.077339 -0.797178
C -3.176310 0.646646 -1.405734
C -2.742005 0.014473 0.925347
C 3.429683 2.951696 -0.569676
C -4.517369 0.917662 -1.078785
C -4.087219 0.286487 1.239277
C 2.001557 2.911578 -0.456764
C -6.453262 0.997380 0.587300
H 5.224671 -0.725710 0.115316
H 3.883311 -2.791850 0.639602
H 5.250174 1.770120 -0.437034
H -2.804278 0.781497 -2.426882
H -2.048152 -0.342373 1.690602
H 3.927621 3.898149 -0.800579
H -5.204496 1.271037 -1.856549
H -4.441017 0.143884 2.267069
H 1.412526 3.826282 -0.589396
H -7.052730 0.073668 0.467883
H -6.895797 1.762735 -0.073757
H -6.573103 1.331493 1.632601


