%chk=000239529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239529

0 1
O -0.163999 -1.814258 -2.536101
O -1.435962 0.546386 2.449722
O -0.444682 -2.963029 -0.637688
O -3.481760 -0.835657 -0.563158
O -5.485357 -0.557154 0.447086
N -2.123525 -1.446992 1.567710
C 1.245530 0.349702 1.440579
C 1.046610 0.320486 -1.176815
C 0.128012 -0.651160 1.002866
C -0.097971 -0.532032 -0.533678
C 2.499602 -0.161123 0.748534
C 0.949801 1.712786 0.838932
C 2.377879 -0.200727 -0.666757
C 0.869530 1.705872 -0.578788
C -1.187205 -0.405711 1.737718
C -0.232631 -1.894048 -1.164668
C 3.667111 -0.581561 1.367628
C 0.773061 2.894331 1.545009
C 3.424533 -0.665409 -1.449648
C 0.631524 2.878090 -1.280887
C 4.727247 -1.048558 0.569709
C 0.529692 4.081360 0.831362
C 4.606841 -1.092119 -0.818319
C 0.464726 4.074784 -0.561401
C -3.545302 -1.167766 1.800395
C -4.309260 -0.813344 0.534478
C -4.088989 -0.549493 -1.874158
C -3.011299 0.157850 -2.664833
H 1.329038 0.384081 2.545825
H 0.972202 0.304450 -2.283814
H 0.490307 -1.685776 1.254430
H -1.072990 0.005292 -0.732354
H 3.770668 -0.551067 2.450015
H 0.806388 2.905440 2.633180
H 3.342062 -0.699154 -2.533684
H 0.576844 2.881584 -2.366408
H 5.649284 -1.377936 1.046671
H 0.388775 5.012628 1.378265
H 5.434292 -1.456879 -1.424990
H 0.280710 5.001905 -1.101530
H -1.932577 -2.213526 0.911589
H -0.261817 -2.704779 -2.973965
H -4.033314 -2.055007 2.275082
H -3.656787 -0.318901 2.532776
H -4.360827 -1.536777 -2.284690
H -4.997362 0.064956 -1.725960
H -3.375053 0.434836 -3.663192
H -2.685869 1.082542 -2.167365
H -2.119036 -0.471622 -2.803713


%chk=000239529-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239529

0 1
O 0.756348 -2.405897 -2.405560
O -1.470575 0.294866 2.373213
O -0.470677 -3.233374 -0.637237
O -3.629649 -0.361663 -0.460897
O -5.605790 -0.827894 0.685034
N -2.061537 -1.682098 1.292163
C 1.204670 0.316811 1.364382
C 1.235131 0.099208 -1.248144
C 0.208828 -0.822320 0.934865
C 0.118587 -0.839117 -0.644541
C 2.560145 -0.126418 0.815029
C 0.813575 1.608288 0.646099
C 2.568364 -0.270222 -0.599774
C 0.857608 1.499598 -0.768725
C -1.173428 -0.667723 1.602240
C 0.109293 -2.258157 -1.184388
C 3.718198 -0.407466 1.563560
C 0.452701 2.825056 1.252226
C 3.733233 -0.692139 -1.266618
C 0.544232 2.604205 -1.583120
C 4.894580 -0.828027 0.893248
C 0.146188 3.942034 0.436751
C 4.901819 -0.970371 -0.514029
C 0.192746 3.834438 -0.973578
C -3.467712 -1.576844 1.647759
C -4.359802 -0.901720 0.593847
C -4.419427 0.407749 -1.476200
C -3.415935 0.982814 -2.470296
H 1.192381 0.430078 2.459730
H 1.259018 0.013663 -2.345538
H 0.634115 -1.787349 1.272613
H -0.865406 -0.416091 -0.940088
H 3.711972 -0.297164 2.654183
H 0.390278 2.897932 2.342733
H 3.735102 -0.804574 -2.356779
H 0.580639 2.516573 -2.675740
H 5.803288 -1.041254 1.467351
H -0.133369 4.894674 0.900491
H 5.816144 -1.293946 -1.024073
H -0.042557 4.705478 -1.595701
H -1.739816 -2.434095 0.665977
H 0.679501 -3.352810 -2.706413
H -3.901224 -2.568773 1.863409
H -3.551541 -0.966014 2.565986
H -5.142166 -0.282865 -1.947052
H -4.986528 1.192078 -0.944004
H -3.948719 1.582714 -3.230615
H -2.687171 1.637389 -1.961365
H -2.866962 0.178531 -2.991415


