%chk=000213032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213032

0 1
O 1.969869 -2.474283 0.928255
O 1.916722 -0.883489 -2.266212
O 3.808751 -1.614526 1.929448
O -3.959239 -0.495107 0.977460
N 3.178045 -1.009764 -0.308821
N 4.255828 -0.147961 -0.611532
C 1.217865 -2.335840 -0.348502
C -0.146861 -1.797654 -0.020385
C 2.071402 -1.321340 -1.157350
C 1.216587 -3.706068 -0.989302
C 3.107402 -1.673616 0.966012
C -0.927719 -1.209884 -1.027143
C -0.650814 -1.917221 1.287108
C -2.207405 -0.734508 -0.741456
C -1.922206 -1.445237 1.595487
C -2.684658 -0.857689 0.569765
C 3.998548 1.236797 -0.220663
C 3.811369 2.239218 -1.186534
C 4.050224 1.554311 1.146423
C -4.684987 0.454341 0.243142
C 3.694036 3.568900 -0.774819
C 3.922865 2.887494 1.541106
C 3.746718 3.893884 0.584941
C -4.123121 1.658462 -0.192809
C -6.043346 0.147730 0.089666
C -4.966138 2.587127 -0.809859
C -6.862488 1.096843 -0.524849
C -6.327406 2.309523 -0.977221
H 0.681375 -4.430808 -0.354599
H 2.232161 -4.101711 -1.128679
H 0.715894 -3.694317 -1.968032
H -0.532371 -1.117096 -2.043789
H -0.031431 -2.377786 2.064073
H 4.450799 -0.218720 -1.632311
H -2.820220 -0.290780 -1.523748
H -2.333998 -1.522673 2.600553
H 3.755510 1.989712 -2.244890
H 4.205451 0.762730 1.885821
H 3.555973 4.354157 -1.517221
H 3.965441 3.143115 2.599783
H 3.650756 4.931727 0.899893
H -3.066856 1.870009 -0.042628
H -6.433994 -0.801032 0.451233
H -4.557323 3.535792 -1.158305
H -7.924691 0.888670 -0.654860
H -6.974517 3.040367 -1.458550


%chk=000213032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213032

0 1
O 2.119355 -2.609573 0.806618
O 1.841450 -0.976891 -2.414696
O 4.067837 -1.650365 1.686376
O -3.960163 -0.573353 1.128660
N 3.170964 -1.006136 -0.438314
N 4.104232 -0.042315 -0.771575
C 1.275594 -2.413128 -0.434486
C -0.093384 -1.858632 -0.023199
C 2.084262 -1.385122 -1.262880
C 1.182420 -3.769479 -1.153971
C 3.213111 -1.734640 0.800651
C -0.968733 -1.340584 -1.011259
C -0.523670 -1.914549 1.325556
C -2.253753 -0.878188 -0.662296
C -1.805308 -1.451078 1.683739
C -2.666000 -0.933345 0.690787
C 3.948973 1.310071 -0.370529
C 5.035302 2.200317 -0.578612
C 2.743111 1.788320 0.201827
C -4.725755 0.411265 0.446611
C 4.911400 3.555920 -0.214050
C 2.636760 3.148411 0.563444
C 3.713079 4.041726 0.360553
C -4.158607 1.608429 -0.048541
C -6.116698 0.180379 0.385304
C -5.007648 2.577814 -0.627598
C -6.953130 1.161277 -0.191738
C -6.403428 2.359969 -0.704274
H 0.661233 -4.493405 -0.506562
H 2.185319 -4.159673 -1.398575
H 0.610120 -3.648489 -2.089088
H -0.644048 -1.285629 -2.056032
H 0.147621 -2.314307 2.090479
H 5.022223 -0.385675 -1.055379
H -2.925943 -0.490243 -1.433149
H -2.153272 -1.486828 2.720082
H 5.969106 1.832328 -1.021664
H 1.896415 1.113373 0.362910
H 5.756556 4.233937 -0.377208
H 1.702740 3.509420 1.008474
H 3.621788 5.094758 0.645229
H -3.081248 1.785718 0.028058
H -6.519260 -0.752720 0.790543
H -4.575047 3.508524 -1.010849
H -8.033406 0.986739 -0.241552
H -7.054668 3.117450 -1.152726


