%chk=000256763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256763

0 1
O -1.421531 -1.110069 0.442370
O 1.421572 1.110108 -0.442485
N -1.392969 1.273043 0.304488
N 1.393020 -1.273007 -0.304598
C -0.528377 0.076478 0.578329
C 0.528422 -0.076444 -0.578442
C 0.068309 0.033942 1.967576
C -0.068264 -0.033912 -1.967690
C -2.732461 0.786312 0.161080
C 2.732508 -0.786266 -0.161178
C -2.703940 -0.643381 0.196214
C 2.703981 0.643426 -0.196319
C -3.922249 1.452948 -0.065966
C 3.922298 -1.452897 0.065884
C -3.828724 -1.420027 0.013534
C 3.828762 1.420078 -0.013634
C -5.080494 0.666808 -0.256464
C 5.080538 -0.666751 0.256387
C -5.035718 -0.724195 -0.218039
C 5.035756 0.724253 0.217953
H -1.266696 2.056261 0.946388
H 1.266761 -2.056218 -0.946512
H 0.540285 -0.948872 2.148966
H 0.855720 0.789909 2.093741
H -0.686550 0.167653 2.750240
H 0.686593 -0.167633 -2.750356
H -0.855680 -0.789876 -2.093852
H -0.540235 0.948903 -2.149086
H -3.972787 2.536802 -0.106294
H 3.972838 -2.536751 0.106220
H -3.791523 -2.503796 0.048959
H 3.791556 2.503847 -0.049066
H -6.028033 1.171628 -0.438265
H 6.028077 -1.171565 0.438200
H -5.948014 -1.300142 -0.368530
H 5.948049 1.300204 0.368448


%chk=000256763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256763

0 1
O -1.452741 -1.145278 0.343100
O 1.452214 1.144898 -0.343840
N -1.460805 1.201456 0.306088
N 1.461333 -1.201808 -0.305454
C -0.558544 0.053390 0.552588
C 0.558548 -0.054299 -0.552586
C 0.005779 0.020440 1.976260
C -0.005848 -0.022447 -1.976254
C -2.785394 0.762407 0.143008
C 2.785738 -0.762066 -0.142741
C -2.774365 -0.658450 0.150271
C 2.774075 0.658782 -0.150846
C -3.994588 1.457600 -0.033499
C 3.995256 -1.456611 0.034096
C -3.926911 -1.425676 -0.009209
C 3.926288 1.426620 0.008093
C -5.182327 0.690048 -0.199048
C 5.182664 -0.688429 0.199096
C -5.154294 -0.721993 -0.190155
C 5.153999 0.723593 0.189364
H -1.195171 2.131372 0.622489
H 1.196074 -2.132042 -0.621232
H 0.616844 -0.883944 2.122498
H 0.640186 0.905921 2.156343
H -0.827526 0.017357 2.698670
H 0.827427 -0.019465 -2.698699
H -0.639893 -0.908306 -2.155769
H -0.617302 0.881584 -2.123025
H -4.027732 2.551775 -0.047373
H 4.028890 -2.550763 0.048627
H -3.887621 -2.518494 0.009159
H 3.886506 2.519409 -0.010915
H -6.135789 1.211292 -0.337834
H 6.136369 -1.209164 0.338125
H -6.081781 -1.288681 -0.321076
H 6.081242 1.290774 0.319884


