%chk=000180181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180181

0 1
O 0.171701 1.415591 0.305119
O 1.267569 3.276194 -0.429576
O -3.952689 -1.398189 -0.274635
N 2.057206 1.123947 -0.963438
N -0.416400 2.110000 3.504523
C 1.847233 -0.340352 -0.693572
C 3.396970 1.585099 -1.486568
C 2.707189 -0.772850 0.483624
C 2.086542 -1.142298 -1.974156
C 4.225863 2.219098 -0.368505
C 3.178538 2.550602 -2.651926
C 1.228448 2.063107 -0.377588
C 3.947200 -1.401901 0.321850
C 2.229784 -0.509049 1.778374
C -0.820122 2.289026 0.917926
C 4.698322 -1.771845 1.442964
C 2.982266 -0.876537 2.895010
C 4.218653 -1.510949 2.729167
C -2.181588 1.754293 0.525052
C -2.353970 0.387100 0.283685
C -3.257517 2.644355 0.416899
C -3.628113 -0.059184 -0.081016
C -0.599395 2.189931 2.368388
C -4.525917 2.163346 0.065827
C -4.727419 0.808559 -0.192869
C -2.979531 -2.287617 -0.742990
C -3.095730 -3.582444 -0.216712
C -2.044744 -1.950979 -1.727448
C -2.239184 -4.568353 -0.707601
C -1.198103 -2.959147 -2.197717
C -1.290853 -4.259805 -1.691873
H 0.758813 -0.476995 -0.411372
H 3.921544 0.663424 -1.859501
H 1.902136 -2.209686 -1.796089
H 1.411868 -0.812292 -2.774956
H 3.110181 -1.041889 -2.356487
H 4.352193 1.536269 0.481796
H 3.756159 3.136952 0.016176
H 5.224178 2.496098 -0.722988
H 2.658642 3.466446 -2.324487
H 4.131931 2.859935 -3.092098
H 2.567747 2.103371 -3.443687
H 4.335985 -1.610239 -0.672940
H 1.267970 -0.006797 1.911274
H -0.653630 3.348113 0.563374
H 5.660185 -2.264286 1.310740
H 2.605112 -0.666729 3.895928
H 4.804243 -1.799230 3.600262
H -1.514656 -0.301636 0.384382
H -3.119050 3.707390 0.605999
H -5.363765 2.857972 -0.011031
H -5.703483 0.414619 -0.470319
H -3.840886 -3.795646 0.546892
H -1.989018 -0.940306 -2.125308
H -2.307999 -5.584543 -0.318595
H -0.465278 -2.726892 -2.970117
H -0.627429 -5.036971 -2.065268


%chk=000180181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180181

0 1
O 0.257182 0.844747 0.662264
O 0.812735 3.118318 0.371958
O -4.656170 -1.237453 -1.247679
N 2.311770 1.412652 -0.257019
N -1.519899 -0.076006 3.409572
C 2.568407 -0.060999 -0.418333
C 3.367830 2.374945 -0.728171
C 3.836679 -0.469550 0.349619
C 2.553783 -0.449381 -1.911692
C 3.893966 3.258739 0.425373
C 2.885212 3.211013 -1.935782
C 1.139078 1.903433 0.249072
C 4.986699 -0.998007 -0.285255
C 3.846583 -0.326560 1.762871
C -1.062746 1.329872 1.191441
C 6.122811 -1.370915 0.471807
C 4.975823 -0.698436 2.521100
C 6.122505 -1.221523 1.875853
C -2.141062 1.191617 0.124937
C -2.870349 -0.010641 -0.028897
C -2.378264 2.290185 -0.738324
C -3.827721 -0.106873 -1.063221
C -1.315294 0.544123 2.412141
C -3.350945 2.179989 -1.756420
C -4.078818 0.983524 -1.926450
C -4.199182 -2.546837 -0.934544
C -5.173684 -3.439380 -0.439363
C -2.877924 -2.976209 -1.199011
C -4.815615 -4.783410 -0.194983
C -2.533932 -4.322463 -0.944260
C -3.495861 -5.229562 -0.441499
H 1.713482 -0.560370 0.065626
H 4.199902 1.725472 -1.058720
H 2.681220 -1.540670 -2.025800
H 1.584667 -0.166804 -2.357338
H 3.353561 0.051080 -2.486747
H 4.271389 2.634270 1.253669
H 3.098212 3.919742 0.805813
H 4.726297 3.887069 0.059035
H 2.063344 3.883067 -1.638473
H 3.719833 3.827396 -2.316818
H 2.532050 2.561236 -2.756334
H 5.004137 -1.131181 -1.372289
H 2.958407 0.074096 2.267144
H -0.927258 2.398082 1.454617
H 7.004216 -1.779493 -0.035370
H 4.962338 -0.586625 3.610985
H 7.000886 -1.512821 2.462477
H -2.707190 -0.850487 0.654872
H -1.798481 3.211056 -0.614445
H -3.543763 3.028167 -2.421469
H -4.839132 0.877151 -2.705782
H -6.187456 -3.071445 -0.255817
H -2.137833 -2.278784 -1.603906
H -5.567642 -5.479427 0.192218
H -1.512133 -4.662254 -1.146255
H -3.220752 -6.271272 -0.246196


