%chk=000257065.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257065

0 1
O 4.374236 -0.437844 0.372999
O -0.870616 2.988494 -0.036648
O 2.677463 0.896796 1.162542
O -1.567689 1.751341 -1.835527
N 2.386495 -1.396082 0.818360
N 0.260535 1.104341 -0.530997
C 0.080541 -1.430838 -0.277479
C 0.403017 -2.700790 -1.115425
C 0.922826 -1.386600 1.030650
C 0.450482 -0.207807 -1.177835
C -1.406279 -1.450886 0.070448
C 0.205037 -4.015990 -0.370588
C -2.356135 -0.965647 -0.842485
C -1.861650 -2.004681 1.278585
C -3.720959 -1.017156 -0.549098
C -3.227131 -2.055929 1.572053
C -4.163090 -1.562135 0.659699
C 3.084926 -0.194420 0.805347
C -0.809142 1.904960 -0.892705
C 5.294922 0.704504 0.381082
C -1.908452 3.982313 -0.360409
C 4.986582 1.627991 -0.776737
C -1.720274 5.041690 0.703515
H -0.244505 -2.700264 -2.018140
H 1.441650 -2.644750 -1.494971
H 0.680311 -2.271790 1.667927
H 0.640984 -0.484495 1.627518
H -0.152082 -0.242631 -2.120794
H 1.518681 -0.280604 -1.487134
H -0.829062 -4.125477 -0.015135
H 0.408984 -4.870602 -1.027528
H 0.863702 -4.108764 0.498969
H 2.794377 -2.220032 0.381210
H 0.833863 1.330690 0.294044
H -2.039738 -0.513439 -1.788723
H -1.156311 -2.408115 2.004547
H -4.439728 -0.623921 -1.267493
H -3.560623 -2.482879 2.516276
H -5.225598 -1.599806 0.888504
H 6.260884 0.175849 0.279063
H 5.218269 1.207545 1.361543
H -2.885487 3.471449 -0.311618
H -1.721143 4.343705 -1.386000
H 4.010397 2.121759 -0.640987
H 4.946606 1.087819 -1.730703
H 5.740329 2.418862 -0.871361
H -0.707793 5.468098 0.668382
H -1.846513 4.622317 1.711697
H -2.439398 5.859648 0.582062


%chk=000257065-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257065

0 1
O 4.446864 -0.415991 0.560147
O -0.855228 3.123408 -0.037894
O 2.571566 0.927167 1.052733
O -1.695927 1.808537 -1.805515
N 2.390278 -1.380542 0.654728
N 0.092289 1.096163 -0.446559
C 0.019602 -1.459975 -0.309829
C 0.340902 -2.670183 -1.258265
C 0.951496 -1.485260 0.946308
C 0.323579 -0.168163 -1.144466
C -1.464285 -1.525743 0.126107
C 0.188763 -4.074279 -0.635935
C -2.491378 -1.189779 -0.797963
C -1.866259 -1.976703 1.412501
C -3.855137 -1.307833 -0.456703
C -3.231604 -2.094691 1.760130
C -4.236339 -1.765681 0.825116
C 3.079259 -0.198629 0.776412
C -0.884189 1.972472 -0.851282
C 5.309388 0.802241 0.593474
C -1.874914 4.152767 -0.371931
C 5.329166 1.499948 -0.769100
C -1.684473 5.291828 0.625989
H -0.329782 -2.596322 -2.136664
H 1.373448 -2.545687 -1.646666
H 0.800107 -2.421772 1.509465
H 0.683590 -0.647136 1.613259
H -0.291433 -0.157274 -2.059652
H 1.381788 -0.219676 -1.467775
H -0.825259 -4.220788 -0.224138
H 0.360695 -4.852889 -1.401171
H 0.913833 -4.254708 0.180433
H 2.931564 -2.216737 0.432638
H 0.771918 1.382800 0.271312
H -2.238609 -0.794111 -1.786292
H -1.123637 -2.240043 2.171942
H -4.618382 -1.027734 -1.191229
H -3.505821 -2.443008 2.762685
H -5.295396 -1.855102 1.091824
H 6.299447 0.406145 0.870738
H 4.933942 1.475367 1.383778
H -2.878446 3.694758 -0.299976
H -1.723168 4.480078 -1.417072
H 4.331915 1.900036 -1.018626
H 5.648424 0.804686 -1.564758
H 6.041129 2.345930 -0.743965
H -0.670545 5.720041 0.544794
H -1.828269 4.934694 1.660208
H -2.419769 6.093171 0.427208


