%chk=000232597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232597

0 1
O 0.093793 1.057987 -1.225398
N 0.359725 0.644388 0.994187
N 4.011743 0.239676 0.205581
C -1.898866 0.297313 -0.008086
C -2.576035 1.274978 0.981468
C -2.616120 0.378440 -1.380745
C -2.607032 2.708768 0.436480
C -2.700861 1.812061 -1.919023
C -3.343634 2.767958 -0.908017
C -1.948527 -1.154255 0.456475
C -0.409030 0.702094 -0.170765
C -1.113056 -2.097572 -0.169995
C -2.821516 -1.586424 1.463083
C 1.806815 0.961258 0.958603
C 2.633487 -0.264292 0.501551
C -1.142312 -3.438065 0.216061
C -2.848933 -2.931123 1.849206
C -2.009131 -3.859596 1.230708
C 4.297441 0.253887 -1.268615
C 5.052737 -0.534433 0.960561
C 3.417358 1.275917 -1.985564
C 6.352190 0.269935 1.032193
H -2.068428 1.255266 1.962710
H -3.616357 0.936477 1.166632
H -3.631263 -0.049453 -1.276750
H -2.079672 -0.253679 -2.116060
H -3.096062 3.376723 1.169357
H -1.574025 3.092070 0.314504
H -1.675280 2.163943 -2.170931
H -3.268266 1.820214 -2.867325
H -4.410328 2.510677 -0.767206
H -3.326099 3.800968 -1.302959
H 0.001313 0.218539 1.840534
H -0.439129 -1.783684 -0.969058
H -3.496944 -0.883535 1.949892
H 1.978298 1.812360 0.254311
H 2.132638 1.303520 1.961860
H 2.628067 -1.041460 1.291214
H 2.150025 -0.727479 -0.387128
H -0.490874 -4.158541 -0.276569
H -3.532052 -3.252755 2.633950
H -2.030999 -4.904856 1.531609
H 4.172267 -0.747900 -1.734729
H 5.366385 0.537358 -1.401061
H 5.248348 -1.536629 0.521681
H 4.677479 -0.704494 1.994554
H 2.342033 1.043386 -1.898608
H 3.552256 2.280355 -1.565935
H 3.655879 1.321129 -3.052132
H 6.837796 0.353453 0.053281
H 6.157451 1.294603 1.378392
H 7.063406 -0.191574 1.723822


%chk=000232597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232597

0 1
O 0.036212 0.804722 -1.453149
N 0.340993 0.834760 0.838809
N 4.047841 0.200259 0.181871
C -1.944705 0.298562 -0.019434
C -2.589031 1.241398 1.042306
C -2.752124 0.444622 -1.352257
C -2.648094 2.711805 0.569162
C -2.882875 1.908673 -1.835059
C -3.461717 2.833720 -0.740348
C -1.951899 -1.189460 0.413821
C -0.449279 0.679721 -0.282790
C -1.297076 -2.147194 -0.409574
C -2.603684 -1.651213 1.585781
C 1.784681 1.119369 0.730490
C 2.624542 -0.148301 0.414478
C -1.296060 -3.516754 -0.075045
C -2.605512 -3.025770 1.922937
C -1.953730 -3.965425 1.095128
C 4.464436 0.067480 -1.238593
C 4.996024 -0.415650 1.145547
C 3.733667 1.044162 -2.180617
C 6.311309 0.374861 1.296699
H -2.068101 1.174059 2.018655
H -3.627234 0.895210 1.221742
H -3.758195 0.012156 -1.176531
H -2.265199 -0.158082 -2.138555
H -3.101515 3.336054 1.363555
H -1.620969 3.096613 0.406737
H -1.884292 2.269516 -2.142765
H -3.527935 1.935207 -2.734967
H -4.517521 2.556235 -0.537133
H -3.467449 3.883719 -1.091211
H -0.062256 0.646799 1.757611
H -0.777288 -1.809096 -1.314368
H -3.119620 -0.947132 2.245847
H 1.934556 1.847661 -0.083117
H 2.134114 1.578752 1.672062
H 2.530613 -0.868994 1.252169
H 2.182168 -0.637226 -0.476951
H -0.783333 -4.234720 -0.725376
H -3.118725 -3.359685 2.832324
H -1.956285 -5.029655 1.356201
H 4.310965 -0.981508 -1.603862
H 5.550137 0.267093 -1.293384
H 5.230577 -1.478450 0.877121
H 4.494351 -0.443624 2.131248
H 2.639682 0.887629 -2.177623
H 3.934413 2.088212 -1.879685
H 4.091188 0.905524 -3.218289
H 6.899398 0.388316 0.361635
H 6.093465 1.420189 1.577799
H 6.944474 -0.081216 2.080749


