%chk=000203325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203325

0 1
O 2.948755 -1.040641 -1.459571
N -4.167789 0.327201 -0.741345
N 3.833176 0.296913 0.209668
C -4.162236 -1.159955 -0.946122
C -5.530669 0.634558 -0.189782
C -5.182050 -1.790116 0.029869
C -6.062203 -0.628188 0.525462
C -3.078198 0.784681 0.182813
C -1.729953 0.725251 -0.555194
C -0.606295 1.330210 0.295025
C 0.749698 1.204149 -0.410711
C 1.871353 1.869090 0.396943
C 3.258320 1.591268 -0.209188
C 4.448417 0.138984 1.555791
C 4.669496 -1.384193 1.722020
C 4.100388 -2.049507 0.458781
C 3.531466 -0.927934 -0.399373
H -3.151743 -1.591273 -0.828572
H -4.467359 -1.334467 -1.999866
H -6.170829 0.889090 -1.061753
H -5.524630 1.517996 0.471684
H -5.782010 -2.565751 -0.471630
H -4.671081 -2.285738 0.870980
H -5.996054 -0.521447 1.620156
H -7.124926 -0.798365 0.291691
H -3.293285 1.836691 0.471623
H -3.031139 0.197454 1.123527
H -1.814980 1.262212 -1.521796
H -1.485647 -0.321154 -0.823080
H -0.564856 0.827668 1.280270
H -0.825771 2.394758 0.504780
H 0.992508 0.134760 -0.588071
H 0.695353 1.654750 -1.421178
H 1.836927 1.525154 1.448212
H 1.704785 2.963142 0.435368
H 3.969224 2.398495 0.072118
H 3.197127 1.585355 -1.325529
H 3.791416 0.546997 2.350152
H 5.406124 0.698052 1.591094
H 4.166459 -1.758443 2.629686
H 5.742116 -1.614387 1.841489
H 3.306903 -2.782883 0.690313
H 4.871390 -2.603033 -0.108054


%chk=000203325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203325

0 1
O 4.068396 -0.153618 -1.963054
N -4.123702 -0.026067 -0.865190
N 3.750977 0.342923 0.324267
C -4.206511 -1.461381 -0.460940
C -5.532137 0.441900 -0.722459
C -5.275989 -1.556135 0.692385
C -6.094572 -0.228662 0.576341
C -3.140564 0.764704 -0.070972
C -1.689930 0.527484 -0.537795
C -0.662854 1.363800 0.258365
C 0.793326 1.119851 -0.196599
C 1.821679 1.952050 0.599055
C 3.283770 1.724088 0.144915
C 4.033594 -0.244303 1.648117
C 4.248165 -1.754085 1.334251
C 4.699700 -1.773358 -0.148285
C 4.141588 -0.467195 -0.740038
H -3.215478 -1.841462 -0.161550
H -4.543558 -2.054281 -1.332429
H -6.107624 0.089530 -1.601039
H -5.578361 1.544209 -0.707594
H -5.916578 -2.446364 0.562020
H -4.793777 -1.640037 1.682415
H -5.914452 0.419339 1.453089
H -7.182347 -0.407430 0.511288
H -3.386665 1.835022 -0.213169
H -3.209362 0.562957 1.029092
H -1.628556 0.769261 -1.616236
H -1.434863 -0.547868 -0.444551
H -0.754348 1.131020 1.341102
H -0.905330 2.442436 0.152012
H 1.036122 0.042746 -0.096316
H 0.889594 1.355058 -1.275773
H 1.722010 1.733815 1.682799
H 1.598063 3.032083 0.480748
H 3.959492 2.411053 0.696148
H 3.383201 1.941044 -0.935189
H 3.193717 -0.076855 2.346556
H 4.941295 0.217111 2.092834
H 3.291771 -2.295022 1.443640
H 4.980187 -2.214954 2.017608
H 4.327332 -2.639298 -0.718582
H 5.801278 -1.757707 -0.252586


