%chk=000189481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189481

0 1
O -4.114024 2.265177 0.344294
O -0.825757 -0.077073 -1.401263
O -3.196373 -1.983260 2.311322
N -2.809839 1.962000 -1.526591
N -1.909289 -0.162331 0.590030
N 2.962996 -1.738921 -1.965447
N 2.689772 2.139067 1.080872
N -5.000024 -2.783844 1.206562
C -3.239176 0.022874 -0.034734
C -1.450265 3.974461 -0.902688
C -0.093901 3.328475 -1.215019
C -2.598517 3.414324 -1.759411
C 0.834681 3.362564 0.005075
C 1.645402 -1.025744 -0.242334
C -3.422310 1.540645 -0.350636
C 0.512105 -0.544643 0.586364
C -4.368781 -0.408807 0.912698
C 2.970788 -1.280797 0.280306
C -0.752720 -0.262709 -0.188500
C 3.775715 -1.730269 -0.821411
C 2.106778 2.532569 -0.237647
C 1.669576 -1.308401 -1.598951
C 3.555615 -1.171906 1.555113
C 5.135447 -2.068246 -0.662520
C -4.115963 -1.762465 1.535720
C 4.891627 -1.502526 1.706241
C 5.671999 -1.948095 0.606977
H -3.288085 -0.569902 -0.990247
H -1.706773 3.832652 0.169127
H -1.390161 5.070234 -1.043555
H 0.380459 3.837338 -2.074230
H -0.229900 2.272193 -1.535301
H -2.398248 3.559070 -2.842760
H -3.543308 3.957054 -1.518479
H 0.302100 2.962251 0.894005
H 1.098001 4.404365 0.262637
H 0.327073 -1.280484 1.404398
H 0.830172 0.401111 1.111195
H -5.337736 -0.340125 0.378144
H -4.470943 0.347679 1.736376
H -2.095094 1.348074 -1.957338
H -1.907292 -0.370498 1.597035
H 1.855185 1.596354 -0.790995
H 2.813948 3.094950 -0.882269
H 0.868996 -1.220327 -2.320309
H 3.243334 -2.016587 -2.884227
H 2.956924 -0.828999 2.397132
H 5.727644 -2.409647 -1.504013
H 5.364552 -1.428305 2.683101
H 6.717679 -2.199930 0.779843
H 3.446558 1.471640 0.943976
H 3.083833 2.946334 1.553329
H -4.875829 -3.701865 1.608452
H -5.764252 -2.674650 0.566551


%chk=000189481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189481

0 1
O -4.158663 2.284545 0.255460
O -0.673734 -0.017165 -1.536289
O -2.873168 -1.782881 2.447362
N -2.562295 2.023796 -1.432074
N -1.747977 -0.199334 0.511044
N 3.108194 -2.022088 -2.038883
N 2.228808 2.095674 1.166802
N -4.843357 -2.677853 1.629177
C -3.091799 0.052460 -0.052151
C -1.679066 4.395090 -1.134503
C -0.170465 4.020994 -1.198464
C -2.619249 3.421880 -1.892924
C 0.335248 3.289022 0.068109
C 1.784868 -1.210977 -0.357867
C -3.321195 1.571165 -0.385570
C 0.651249 -0.653901 0.466190
C -4.209803 -0.390945 0.928941
C 3.098101 -1.520557 0.186039
C -0.625030 -0.289424 -0.279480
C 3.908221 -2.030124 -0.891989
C 1.776163 2.761944 -0.080672
C 1.832522 -1.525506 -1.715666
C 3.669226 -1.414898 1.483430
C 5.249728 -2.430101 -0.705284
C -3.912003 -1.664529 1.714204
C 5.007427 -1.811962 1.675534
C 5.789645 -2.314430 0.592842
H -3.158939 -0.508765 -1.006254
H -2.009624 4.455616 -0.079932
H -1.843527 5.399542 -1.573399
H 0.437356 4.936005 -1.347922
H 0.017683 3.381678 -2.086659
H -2.365474 3.427032 -2.969936
H -3.662496 3.768748 -1.779397
H -0.333990 2.443569 0.309351
H 0.281944 3.986611 0.931456
H 0.400489 -1.353065 1.290171
H 1.017804 0.285037 0.960174
H -5.153069 -0.470983 0.362195
H -4.358899 0.435076 1.650738
H -1.850330 1.365329 -1.806393
H -1.733633 -0.558357 1.480826
H 1.802185 2.008342 -0.891023
H 2.438831 3.603886 -0.396755
H 1.055610 -1.404202 -2.465084
H 3.402084 -2.315043 -2.967403
H 3.074878 -1.037785 2.323881
H 5.855292 -2.817834 -1.532563
H 5.459164 -1.739383 2.671432
H 6.827199 -2.617235 0.773940
H 3.131696 1.614588 1.073580
H 2.220128 2.719803 1.982369
H -4.691828 -3.527380 2.173908
H -5.677734 -2.598625 1.051383


