%chk=000195393.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195393

1 1
O 1.696868 0.192715 -0.211428
O 1.349669 -0.499413 1.948028
N -3.221214 -0.074213 -0.298251
C -2.472308 1.100574 -0.364087
C -2.657579 -1.277046 0.122949
C -1.080661 1.071328 -0.004206
C -1.272949 -1.311722 0.508944
C -0.508155 -0.135137 0.431713
C -3.063080 2.338296 -0.786631
C -3.431204 -2.484755 0.183202
C -0.323894 2.297188 -0.107415
C -0.725141 -2.567147 0.969065
C -4.654269 -0.021478 -0.688657
C 0.942035 -0.183648 0.864842
C -2.304471 3.477483 -0.856402
C -2.864177 -3.653645 0.614805
C -0.913830 3.456798 -0.516864
C -1.490552 -3.694811 1.018801
C 3.120838 0.194709 -0.177411
C 3.674095 0.088160 -1.458542
C 3.872102 0.349216 0.984273
C 5.065133 0.152415 -1.564774
C 5.265076 0.405729 0.844180
C 5.856798 0.310200 -0.418914
H -4.120982 2.382765 -1.054415
H -4.484915 -2.465706 -0.118925
H 0.746471 2.268991 0.137833
H 0.323993 -2.591793 1.294040
H -4.767619 0.314383 -1.739757
H -5.220417 0.666143 -0.027327
H -5.151066 -1.012315 -0.616922
H -2.751478 4.426935 -1.176732
H -3.453047 -4.578154 0.661509
H -0.339672 4.386924 -0.595347
H -1.074157 -4.646194 1.369434
H 3.038654 -0.036263 -2.332622
H 3.409259 0.410933 1.969909
H 5.536429 0.076136 -2.546765
H 5.888839 0.524543 1.732821
H 6.943079 0.356275 -0.514656


%chk=000195393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195393

1 1
O 1.736834 0.174346 -0.211418
O 1.304785 -0.475058 2.015213
N -3.234027 -0.101370 -0.389572
C -2.505581 1.092636 -0.424461
C -2.708008 -1.268750 0.176209
C -1.106947 1.087656 -0.025335
C -1.314779 -1.297988 0.592659
C -0.520985 -0.124028 0.440207
C -3.107713 2.319157 -0.840388
C -3.512974 -2.435702 0.348937
C -0.367734 2.321999 -0.087175
C -0.781037 -2.523402 1.129729
C -4.605141 -0.134734 -0.974188
C 0.932585 -0.161928 0.863627
C -2.353709 3.495066 -0.876976
C -2.956429 -3.599817 0.885066
C -0.972993 3.500816 -0.506482
C -1.579495 -3.653083 1.265741
C 3.184580 0.185305 -0.208144
C 3.728225 0.407935 -1.491031
C 3.990995 0.014940 0.940044
C 5.129916 0.460986 -1.633983
C 5.393822 0.072427 0.769601
C 5.965700 0.292747 -0.503757
H -4.167196 2.371700 -1.094761
H -4.575699 -2.430672 0.103439
H 0.684352 2.322964 0.206024
H 0.260457 -2.548068 1.457642
H -4.670755 0.582330 -1.802273
H -5.366540 0.105245 -0.212425
H -4.801336 -1.129603 -1.394524
H -2.835485 4.429503 -1.181777
H -3.590545 -4.481190 1.023709
H -0.403400 4.433424 -0.541937
H -1.164227 -4.576100 1.679352
H 3.059506 0.531492 -2.347872
H 3.554811 -0.155446 1.924524
H 5.566514 0.631907 -2.622832
H 6.038558 -0.055926 1.644906
H 7.053596 0.333681 -0.616017


