%chk=000183328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183328

0 1
O -1.097992 -2.518533 -0.397592
O 3.658453 -1.612074 0.278376
O 1.506064 -3.490767 -0.301067
O -5.323245 -0.531123 -0.200392
O -5.582075 1.819294 0.007187
N 4.648232 2.804998 -0.301818
C 0.760252 0.591632 0.369151
C -0.349532 -0.264550 0.113551
C 2.091911 0.094361 0.416125
C -1.696875 0.291634 0.109021
C 3.264047 0.999646 0.676111
C -1.870155 1.690309 0.268026
C -0.055168 -1.637207 -0.136709
C 2.330444 -1.271132 0.214360
C 3.752662 1.648007 -0.634867
C 0.525813 2.006847 0.559824
C 1.243180 -2.147572 -0.047822
C -0.721526 2.532556 0.493351
C -2.855745 -0.542773 -0.036405
C -3.163057 2.312477 0.237294
C -4.075579 0.066101 -0.060989
C -4.234522 1.487761 0.068271
C -6.303825 0.555367 -0.158677
C 4.774082 3.719211 -1.477355
C 5.999392 2.334873 0.127503
C -1.045264 -3.133632 -1.718745
C 4.038060 -2.997595 0.078131
C 0.934739 -4.389956 0.695025
H 3.001103 1.789339 1.412781
H 4.091963 0.427240 1.147976
H 2.877069 2.028482 -1.205625
H 4.237110 0.880901 -1.274854
H 1.391480 2.647713 0.755541
H -0.887720 3.603186 0.620985
H -2.767412 -1.630271 -0.112208
H -3.265007 3.387855 0.348865
H -6.932507 0.407928 0.729223
H -6.815121 0.585171 -1.129607
H 3.778713 4.120130 -1.727106
H 5.200522 3.258982 -2.380141
H 5.404716 4.578016 -1.197129
H 6.602547 3.206131 0.427679
H 6.557365 1.771873 -0.634566
H 5.891496 1.693924 1.017267
H -1.184651 -2.360320 -2.478947
H -1.897084 -3.820648 -1.683522
H -0.097751 -3.668131 -1.855086
H 5.131771 -2.927060 0.083478
H 3.657536 -3.364608 -0.881920
H 3.665681 -3.607942 0.904643
H -0.155098 -4.270936 0.728710
H 1.381838 -4.191512 1.671696
H 1.221169 -5.372208 0.307999


%chk=000183328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183328

0 1
O -1.135550 -2.659074 -0.297801
O 3.593291 -1.832572 0.553605
O 1.462126 -3.590179 -0.043096
O -5.450125 -0.520469 -0.308844
O -5.685128 1.861321 -0.166421
N 4.723068 2.740596 -0.296224
C 0.723529 0.564089 0.398904
C -0.409653 -0.311741 0.144622
C 2.069104 0.056928 0.501413
C -1.764142 0.258915 0.078034
C 3.258183 0.970189 0.756461
C -1.925517 1.696201 0.189159
C -0.113587 -1.709427 -0.031863
C 2.291685 -1.324656 0.354560
C 3.769508 1.636330 -0.549862
C 0.492575 1.986322 0.519093
C 1.198905 -2.206728 0.103443
C -0.770627 2.528391 0.402410
C -2.949310 -0.549292 -0.071754
C -3.221269 2.315666 0.117644
C -4.177223 0.086271 -0.129552
C -4.321877 1.494947 -0.043779
C -6.432928 0.575952 -0.126259
C 4.979963 3.532029 -1.517114
C 5.979754 2.297018 0.341188
C -1.092702 -3.229239 -1.666608
C 4.201713 -2.529157 -0.601046
C 0.999760 -4.409686 1.104023
H 3.005085 1.771444 1.473273
H 4.063589 0.366605 1.203884
H 2.908696 2.060441 -1.100452
H 4.213889 0.841478 -1.207225
H 1.343327 2.648088 0.701112
H -0.916780 3.611355 0.487884
H -2.865814 -1.633249 -0.117787
H -3.318287 3.401684 0.197375
H -6.912725 0.471607 0.865393
H -7.153130 0.555871 -0.958436
H 4.024962 3.912554 -1.921733
H 5.490200 2.949281 -2.326959
H 5.617422 4.400417 -1.271035
H 6.627694 3.173140 0.522873
H 6.553433 1.564299 -0.284015
H 5.771563 1.824855 1.315610
H -1.236448 -2.428495 -2.416196
H -1.928941 -3.943883 -1.713513
H -0.132796 -3.748119 -1.832062
H 5.192672 -2.857186 -0.251140
H 4.315943 -1.828340 -1.451546
H 3.588804 -3.396693 -0.897948
H -0.090955 -4.298421 1.235716
H 1.535124 -4.106794 2.022569
H 1.252446 -5.449493 0.845024


