%chk=000236248.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236248

0 1
O 1.410951 -0.707426 2.075611
O -1.197602 -0.975752 1.801328
N -2.274712 -0.704628 -0.169173
C 1.388100 -1.102007 0.708342
C 1.262605 -2.643125 0.597981
C 2.781078 -0.735574 0.153087
C 0.222896 -0.388316 -0.060718
C 2.227570 -3.063974 -0.516932
C 3.300231 -1.960169 -0.616491
C 0.411416 1.107414 -0.127716
C -1.118401 -0.699110 0.602452
C 0.606894 1.732752 -1.369131
C 0.398479 1.879582 1.044118
C -2.315692 -0.332675 -1.606202
C -3.577932 -1.012497 0.488675
C 0.772089 3.119296 -1.434715
C 0.564113 3.264082 0.971927
C 0.746860 3.887681 -0.267060
C -1.814479 -1.470949 -2.494925
C -4.348715 0.258028 0.838562
H 0.234116 -2.986102 0.418500
H 1.563091 -3.088395 1.566995
H 3.442750 -0.485705 1.007775
H 2.758630 0.168015 -0.476224
H 0.239340 -0.821990 -1.098864
H 1.693301 -3.174988 -1.475900
H 2.682821 -4.044942 -0.301462
H 4.254667 -2.308453 -0.183896
H 3.512189 -1.709011 -1.668515
H 0.530417 -0.895855 2.518570
H 0.642237 1.143692 -2.282735
H 0.281250 1.383864 2.012471
H -3.361670 -0.066907 -1.882135
H -1.713181 0.590595 -1.772543
H -4.171881 -1.665458 -0.186195
H -3.372303 -1.597900 1.420273
H 0.924231 3.600934 -2.398861
H 0.555281 3.857838 1.884988
H 0.874540 4.966639 -0.320737
H -0.756634 -1.701310 -2.298793
H -2.380424 -2.395853 -2.327886
H -1.907542 -1.213409 -3.555928
H -3.770538 0.894988 1.523229
H -4.584681 0.862006 -0.043522
H -5.292757 0.016572 1.340574


%chk=000236248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236248

0 1
O 1.391044 -0.680253 2.274080
O -1.248046 -0.852792 1.921225
N -2.197770 -0.764418 -0.183833
C 1.417539 -1.078100 0.871280
C 1.303613 -2.624749 0.676422
C 2.826520 -0.786134 0.308292
C 0.277214 -0.343219 0.049325
C 2.048413 -2.943963 -0.654011
C 2.982204 -1.709206 -0.927605
C 0.464025 1.172851 -0.052695
C -1.105554 -0.675438 0.653707
C 0.937772 1.745324 -1.262072
C 0.195289 2.030322 1.046287
C -2.164586 -0.503523 -1.642774
C -3.523570 -1.072865 0.415468
C 1.142854 3.138538 -1.376769
C 0.399104 3.423172 0.932633
C 0.872932 3.983992 -0.276489
C -1.977014 -1.784293 -2.485303
C -4.288108 0.200078 0.834896
H 0.260240 -2.988416 0.686268
H 1.821466 -3.086899 1.536606
H 3.539702 -1.066288 1.105414
H 2.983641 0.281609 0.083691
H 0.331335 -0.761306 -0.971884
H 1.338090 -3.091576 -1.490234
H 2.628899 -3.879564 -0.567865
H 4.033044 -2.012628 -1.078667
H 2.670105 -1.184181 -1.850876
H 0.429215 -0.778381 2.558004
H 1.159339 1.092904 -2.117539
H -0.166802 1.604052 1.986719
H -3.123254 -0.020516 -1.910802
H -1.377341 0.234727 -1.866853
H -4.102626 -1.652471 -0.327699
H -3.350392 -1.709656 1.298463
H 1.512440 3.561056 -2.318116
H 0.192755 4.072890 1.790851
H 1.030111 5.065294 -0.359866
H -1.005696 -2.266053 -2.271792
H -2.773036 -2.520465 -2.272849
H -2.013339 -1.542780 -3.563477
H -3.719657 0.745942 1.606525
H -4.454524 0.877096 -0.023037
H -5.274590 -0.068216 1.255147


