%chk=000220332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220332

0 1
O -1.146963 0.675766 -2.047387
N -1.690689 1.134651 0.160079
N 2.621626 0.494518 0.237564
N 1.410385 0.871433 -0.170738
N 0.547438 -1.393099 -0.143613
N -0.506160 -2.072938 -0.174611
C -2.976690 1.742723 -0.007278
C 3.645425 1.493381 0.381601
C -3.643115 2.175441 1.159226
C -3.569344 1.914589 -1.270114
C -0.874548 0.637945 -0.870058
C -4.896660 2.776827 1.045961
C -4.824180 2.518801 -1.357816
C 4.911060 1.044089 0.808613
C 3.411646 2.855366 0.123977
C 0.416272 0.026490 -0.338165
C -5.492032 2.951440 -0.207642
C 5.937350 1.975201 0.976464
C 4.454711 3.765767 0.299345
C 5.715350 3.332965 0.724723
C -0.405197 -3.499316 0.004153
C 0.779471 -4.249332 -0.114886
C -1.631830 -4.138610 0.274123
C 0.732353 -5.635426 0.043447
C -1.659671 -5.524483 0.434478
C -0.482262 -6.272559 0.320033
H -1.359407 1.045295 1.124096
H -3.192634 2.046347 2.139292
H -3.054763 1.578173 -2.176239
H -5.414220 3.112618 1.944059
H -5.285104 2.652811 -2.336720
H 5.097326 -0.008405 1.007177
H 2.430419 3.195219 -0.212466
H -6.468918 3.421048 -0.287374
H 2.876731 -0.490964 0.384049
H 6.919921 1.637042 1.306427
H 4.281667 4.824128 0.100385
H 6.521760 4.051109 0.857913
H 1.722935 -3.750261 -0.336434
H -2.547212 -3.548433 0.351968
H 1.645294 -6.222436 -0.050800
H -2.604193 -6.025486 0.645374
H -0.512646 -7.354636 0.443217


%chk=000220332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220332

0 1
O -2.442904 -0.594467 -0.824532
N -1.780718 1.507753 0.022810
N 2.010670 0.296333 0.507529
N 0.750627 0.683646 0.209796
N 0.280080 -1.610829 -0.026578
N -0.611503 -2.559511 0.170674
C -2.945561 2.296402 -0.155211
C 3.059998 1.223332 0.679771
C -2.871762 3.664055 0.230984
C -4.160832 1.781981 -0.685468
C -1.575363 0.169209 -0.307550
C -3.992525 4.505745 0.089847
C -5.273696 2.639635 -0.819809
C 4.340094 0.724248 1.042138
C 2.861351 2.618225 0.505137
C -0.164099 -0.285983 0.000835
C -5.203784 3.999045 -0.437685
C 5.411846 1.619461 1.232693
C 3.942142 3.499896 0.704567
C 5.220754 3.011759 1.068143
C -0.110286 -3.885646 -0.004858
C 1.157433 -4.225049 -0.563384
C -1.006791 -4.913271 0.398522
C 1.518076 -5.578366 -0.692989
C -0.633616 -6.266364 0.271126
C 0.629183 -6.602353 -0.273119
H -0.943254 1.979084 0.385487
H -1.935816 4.063473 0.643063
H -4.213736 0.732606 -0.980896
H -3.919992 5.556483 0.392114
H -6.206646 2.235795 -1.229286
H 4.490747 -0.354149 1.176253
H 1.875774 2.986720 0.210089
H -6.075706 4.652580 -0.547530
H 2.198088 -0.720283 0.526374
H 6.396446 1.229133 1.511931
H 3.787681 4.576086 0.569157
H 6.054976 3.704818 1.217520
H 1.822802 -3.423540 -0.899263
H -1.980343 -4.616308 0.801469
H 2.487122 -5.846530 -1.128777
H -1.323771 -7.056203 0.585731
H 0.917517 -7.653851 -0.381426


