%chk=000214425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214425

0 1
O 0.798150 -0.539061 -0.928348
O -2.371063 3.247325 -2.592823
O -5.186025 -1.014125 1.130599
O -4.522911 2.769871 -2.075844
O -3.887013 -2.802546 0.631460
N -2.223045 0.229461 -0.585816
N 0.316589 -1.066566 1.227525
C -1.556916 -1.110339 -0.540335
C -1.808130 1.011823 -1.791238
C -3.709599 0.108758 -0.475568
C -0.189159 -0.928244 0.014558
C -1.885080 2.502388 -1.434558
C -4.063338 -0.088709 1.003490
C 1.989985 -0.442164 -0.186904
C 1.699687 -0.755184 1.132479
C 3.170393 -0.079548 -0.951362
C 2.561924 -0.782901 2.312618
C 3.055642 0.768691 -2.067037
C 4.429486 -0.584344 -0.581556
C 3.581843 0.172087 2.465758
C 2.364623 -1.759321 3.304288
C 4.194064 1.115308 -2.797387
C 5.561939 -0.230627 -1.317884
C 4.404924 0.136472 3.593422
C 3.193373 -1.787431 4.428115
C -3.729151 3.321069 -2.803523
C -4.967698 -2.357675 0.947538
C 5.447344 0.618828 -2.423568
C 4.215276 -0.843474 4.573438
C -3.987284 4.152128 -4.010690
C -6.239627 -3.091953 1.191596
H -2.135999 -1.803391 0.140526
H -1.505655 -1.627568 -1.525900
H -0.759437 0.747169 -2.064296
H -2.421957 0.803880 -2.694263
H -4.138134 -0.715384 -1.085782
H -4.187673 1.046655 -0.859143
H -2.536849 2.709266 -0.565604
H -0.892196 2.960179 -1.280627
H -3.217987 -0.465313 1.609911
H -4.488153 0.819621 1.467580
H 2.075819 1.148434 -2.356213
H 4.518993 -1.252842 0.276336
H 3.724117 0.944253 1.710265
H 1.556219 -2.484462 3.194014
H 4.104704 1.773608 -3.660293
H 6.537375 -0.620998 -1.030160
H 5.193738 0.877449 3.710768
H 3.039412 -2.545369 5.194518
H 6.333392 0.891696 -2.994354
H 4.858844 -0.868315 5.450444
H -3.057927 4.492607 -4.495433
H -4.574451 5.047166 -3.748229
H -4.572159 3.590344 -4.755968
H -7.082962 -2.414516 1.403120
H -6.135045 -3.773620 2.051172
H -6.509933 -3.708843 0.320470


%chk=000214425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214425

0 1
O 0.829411 -0.503600 -1.095310
O -2.038653 3.191276 -2.476121
O -5.229587 -1.068530 1.511606
O -4.340103 3.030248 -2.831760
O -4.368652 -3.203942 1.131946
N -2.324401 -0.151028 -0.724639
N 0.410680 -1.316874 0.990227
C -1.481491 -1.376468 -0.723243
C -2.099406 0.777593 -1.852818
C -3.741878 -0.403268 -0.382264
C -0.098651 -1.109558 -0.212136
C -2.166123 2.229460 -1.340667
C -3.896132 -0.500740 1.150201
C 2.023120 -0.339323 -0.329454
C 1.747990 -0.823373 0.956220
C 3.177009 0.187793 -1.063591
C 2.552630 -0.840494 2.192715
C 2.977593 1.052517 -2.177295
C 4.506103 -0.184740 -0.714997
C 3.571211 0.118129 2.449377
C 2.263566 -1.814939 3.187401
C 4.077954 1.543655 -2.909256
C 5.602400 0.311557 -1.449186
C 4.298845 0.083683 3.657248
C 2.995515 -1.848906 4.392530
C -3.225560 3.507986 -3.149266
C -5.327406 -2.463971 1.458777
C 5.396288 1.180612 -2.546934
C 4.020713 -0.903657 4.631928
C -2.968966 4.493532 -4.268076
C -6.709627 -2.928682 1.860354
H -1.938510 -2.120621 -0.049390
H -1.420994 -1.838224 -1.735043
H -1.098480 0.594223 -2.279117
H -2.844797 0.638736 -2.667796
H -4.121065 -1.340644 -0.847900
H -4.359151 0.425734 -0.770558
H -3.119773 2.419939 -0.817668
H -1.314439 2.456461 -0.682383
H -3.106090 -1.138187 1.582910
H -3.880285 0.491353 1.625393
H 1.958352 1.333770 -2.461148
H 4.676806 -0.876378 0.115809
H 3.778733 0.904614 1.716466
H 1.455112 -2.528711 3.001044
H 3.907247 2.210742 -3.761372
H 6.618389 0.010334 -1.171160
H 5.075679 0.833996 3.842726
H 2.764064 -2.609418 5.146624
H 6.250663 1.563554 -3.115658
H 4.588127 -0.929167 5.568924
H -1.898248 4.724354 -4.360727
H -3.531766 5.422711 -4.070512
H -3.348095 4.078676 -5.217824
H -7.387898 -2.077536 2.014668
H -6.638640 -3.516050 2.792935
H -7.114035 -3.598506 1.082543


