%chk=000296556.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296556

0 1
O 4.835325 -1.687624 -0.672941
N 4.604854 0.579841 -0.830879
N -3.552246 -1.580173 0.361032
N -2.310738 -1.264306 -0.054960
N -1.418426 -1.044983 0.824638
N -6.190583 2.746385 -0.347115
C 6.753474 1.490776 0.153886
C 6.049757 0.814479 -1.048909
C 6.647405 0.630579 1.415040
C 6.217542 2.904959 0.401036
C 4.121205 -0.703032 -0.568532
C 2.661724 -0.765841 -0.232530
C -4.600869 -1.264800 -0.654926
C 1.836447 -1.612554 -0.984117
C 2.133589 -0.030391 0.838400
C -5.152994 0.136881 -0.538051
C -0.053782 -0.960917 0.380100
C 0.476591 -1.708391 -0.687265
C 0.779168 -0.122936 1.150274
C -4.334660 1.247214 -0.785307
C -6.495177 0.344027 -0.194750
C -3.980861 -1.452693 1.781304
C -4.889953 2.531698 -0.678085
C -6.973706 1.662393 -0.112293
H 7.837552 1.574250 -0.121309
H 6.167283 1.440296 -1.960863
H 6.543007 -0.166416 -1.264147
H 7.267840 1.028343 2.224419
H 6.970875 -0.401216 1.222981
H 5.618751 0.572773 1.786733
H 5.180776 2.896717 0.751617
H 6.259694 3.517953 -0.505256
H 6.808135 3.417511 1.169831
H 4.035045 1.402214 -0.671359
H -4.179815 -1.419633 -1.681089
H -5.402036 -2.032405 -0.536576
H 2.264256 -2.202392 -1.798430
H 2.783682 0.605143 1.440137
H -0.168406 -2.363939 -1.271892
H 0.359858 0.436675 1.986524
H -3.286682 1.119364 -1.054457
H -7.161160 -0.491256 0.004407
H -4.058164 -0.403203 2.111296
H -4.952786 -1.947088 1.922846
H -3.242123 -1.953532 2.436264
H -4.286125 3.428958 -0.861298
H -8.017746 1.871293 0.150872


%chk=000296556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296556

0 1
O 4.469414 -0.708102 -1.833740
N 4.909067 1.116353 -0.453493
N -3.498961 -0.666601 0.781864
N -2.245630 -0.657283 0.248022
N -1.362654 -0.043257 1.010545
N -7.712507 1.267671 -1.505366
C 7.329593 0.874389 0.267617
C 6.318708 1.241025 -0.856345
C 7.197470 -0.607375 0.685184
C 7.199076 1.817300 1.487924
C 4.073242 0.127750 -0.957940
C 2.663754 0.107846 -0.426661
C -4.522259 -1.353467 -0.016660
C 1.685533 -0.588376 -1.186985
C 2.270984 0.712436 0.797066
C -5.631640 -0.429747 -0.514499
C -0.042977 -0.038132 0.459189
C 0.350033 -0.660484 -0.762270
C 0.934834 0.640439 1.234155
C -5.337351 0.836548 -1.078409
C -6.989393 -0.823996 -0.456088
C -3.804344 -0.061219 2.089396
C -6.396664 1.640324 -1.554074
C -7.984701 0.045434 -0.960361
H 8.336711 1.025708 -0.176304
H 6.505957 2.279364 -1.196378
H 6.453238 0.565530 -1.719423
H 7.943830 -0.867399 1.458613
H 7.340886 -1.281591 -0.178049
H 6.192132 -0.807464 1.099743
H 6.226589 1.672387 1.997843
H 7.281680 2.881069 1.192726
H 7.990483 1.610552 2.231264
H 4.518544 1.826038 0.166207
H -3.983963 -1.799836 -0.872367
H -4.965911 -2.182475 0.569493
H 2.013221 -1.072868 -2.112757
H 3.005774 1.210765 1.441324
H -0.398396 -1.193899 -1.355354
H 0.622071 1.093402 2.180531
H -4.303081 1.191036 -1.144430
H -7.275988 -1.790819 -0.026000
H -3.538772 1.010970 2.091230
H -4.880871 -0.179904 2.287742
H -3.210272 -0.546299 2.885320
H -6.198311 2.623418 -1.995720
H -9.043384 -0.236158 -0.927027


