%chk=000249171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249171

0 1
O 6.374010 -2.239787 1.883655
O -6.391956 -2.149326 -1.949435
N 0.755540 2.323420 -0.946583
N -0.753127 2.295328 1.025198
N 1.870393 1.617744 -0.561345
N -1.871041 1.607367 0.617508
C 0.003302 3.168034 0.053123
C 1.096273 3.138210 -2.160099
C -1.090519 3.072536 2.264052
C 3.164303 0.206501 0.876148
C -3.171224 0.248823 -0.864375
C 2.001097 1.076089 0.618128
C -2.004130 1.104465 -0.578734
C 3.424030 -0.193465 2.205298
C -3.433256 -0.106368 -2.205734
C 4.009773 -0.236910 -0.152701
C -4.018167 -0.224303 0.149922
C 5.341429 -1.437920 1.448063
C -5.355717 -1.366590 -1.488465
C 4.506416 -1.009968 2.502486
C -4.519308 -0.908030 -2.528821
C 5.105055 -1.061308 0.121401
C -5.117137 -1.034558 -0.150343
C 7.293721 -2.755797 0.891991
C -7.313490 -2.693453 -0.974638
H 0.696543 3.813663 0.643174
H -0.686728 3.835766 -0.515688
H 1.694549 2.521546 -2.857112
H 1.674282 4.048531 -1.944512
H 0.160883 3.406554 -2.674153
H -0.154072 3.320345 2.786415
H -1.691550 2.436563 2.941057
H -1.664576 3.991737 2.077545
H 1.311723 1.194906 1.469165
H -1.314249 1.247470 -1.425619
H 2.767714 0.140246 3.009801
H -2.775848 0.250614 -2.999279
H 3.808240 0.065907 -1.183604
H -3.814879 0.043798 1.190051
H 4.722859 -1.327819 3.519264
H -4.737570 -1.191545 -3.555317
H 5.745083 -1.393833 -0.687859
H -5.758254 -1.390576 0.647987
H 7.817249 -1.934037 0.395343
H 7.983052 -3.345276 1.510325
H 6.764477 -3.393682 0.178299
H -7.833229 -1.886088 -0.451126
H -8.005639 -3.259429 -1.611505
H -6.786732 -3.356595 -0.282452


%chk=000249171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249171

0 1
O 7.094379 -1.727318 2.146032
O -7.109907 -1.625571 -2.194437
N 0.785631 1.879392 -0.939101
N -0.785016 1.854412 1.002557
N 1.959354 1.228318 -0.603647
N -1.961312 1.217816 0.648215
C 0.001709 2.656506 0.043080
C 0.770636 2.330951 -2.342117
C -0.768050 2.264323 2.418270
C 3.537250 0.290612 0.980647
C -3.541869 0.333792 -0.964556
C 2.289625 0.996345 0.655825
C -2.291138 1.023261 -0.617701
C 3.866271 0.039728 2.344713
C -3.869480 0.124050 -2.335895
C 4.443750 -0.159468 -0.018111
C -4.453158 -0.139171 0.019137
C 5.939877 -1.069475 1.688988
C -5.951729 -0.989727 -1.716203
C 5.049559 -0.629642 2.699796
C -5.056335 -0.527071 -2.712243
C 5.632801 -0.833027 0.322596
C -5.645813 -0.795019 -0.342990
C 8.042314 -2.206655 1.138491
C -8.063852 -2.126864 -1.203388
H 0.680343 3.295387 0.650159
H -0.674733 3.314645 -0.545608
H 1.252946 1.554768 -2.954255
H 1.321114 3.284445 -2.489539
H -0.269196 2.467720 -2.688877
H 0.272329 2.389961 2.767567
H -1.250194 1.470786 3.007899
H -1.317481 3.213517 2.594532
H 1.652932 1.277394 1.509994
H -1.651956 1.325748 -1.462643
H 3.180901 0.371922 3.134918
H -3.180339 0.474379 -3.114921
H 4.194588 0.026821 -1.067645
H -4.205006 0.015391 1.074046
H 5.304973 -0.824963 3.745750
H -5.310905 -0.690500 -3.763853
H 6.306928 -1.167819 -0.471960
H -6.323665 -1.148261 0.440330
H 8.450506 -1.370145 0.538021
H 8.853001 -2.682545 1.709748
H 7.573657 -2.950853 0.465179
H -8.465729 -1.305433 -0.578349
H -8.877699 -2.577849 -1.790157
H -7.603216 -2.895513 -0.552393


