%chk=000220418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220418

0 1
O 1.195467 -2.506131 1.271326
O 3.127742 2.275101 -0.706901
N -0.076681 -0.158486 1.868947
C -1.163854 0.841417 1.735116
C 1.022868 -0.116365 0.991913
C -2.161716 0.474859 0.659724
C 1.716266 -1.337180 0.709076
C 1.546087 1.074777 0.471825
C 2.743867 1.026811 -0.266152
C 2.902526 -1.357680 -0.013097
C -1.826202 0.634055 -0.692856
C -3.421143 -0.030787 1.009344
C 3.436245 -0.163987 -0.515677
C -2.746935 0.292479 -1.686281
C -4.340350 -0.369752 0.011648
C -4.005412 -0.208790 -1.336143
C 0.513610 -3.351756 0.308065
C 4.364943 2.380434 -1.451442
H -0.732263 1.851419 1.536554
H -1.657089 0.919547 2.733403
H -0.418396 -1.109606 2.062751
H 1.068783 2.034502 0.649076
H 3.412005 -2.305098 -0.186800
H -0.843967 1.020988 -0.968578
H -3.689104 -0.159615 2.056410
H 4.361590 -0.181767 -1.076065
H -2.484022 0.418716 -2.735476
H -5.319147 -0.759338 0.286530
H -4.722260 -0.471639 -2.111537
H 1.216617 -3.700625 -0.452274
H -0.322694 -2.813809 -0.145445
H 0.165315 -4.181729 0.932440
H 4.417177 3.458950 -1.648682
H 4.296292 1.812981 -2.383736
H 5.207837 2.053405 -0.835607


%chk=000220418-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220418

0 1
O 1.414316 -2.990470 0.871985
O 2.408408 2.344255 -0.625821
N -0.417068 -1.113649 1.275128
C -1.473936 -0.207432 1.704790
C 0.771973 -0.698651 0.676181
C -2.402551 0.314558 0.596712
C 1.788640 -1.688842 0.449016
C 1.034249 0.634907 0.290978
C 2.279181 0.979347 -0.292897
C 3.013716 -1.339155 -0.133130
C -2.462926 -0.306274 -0.672603
C -3.244875 1.424348 0.859308
C 3.277568 0.005705 -0.510663
C -3.356377 0.167362 -1.660859
C -4.141408 1.897695 -0.124314
C -4.200938 1.268368 -1.390135
C 2.393528 -4.056682 0.686886
C 3.661769 2.760884 -1.249849
H -1.035027 0.662082 2.239723
H -2.089825 -0.746615 2.450923
H -0.465711 -2.101397 1.522086
H 0.283027 1.419524 0.410149
H 3.785490 -2.096703 -0.301245
H -1.797497 -1.151041 -0.881017
H -3.197654 1.923036 1.836762
H 4.240494 0.258104 -0.961596
H -3.389152 -0.319450 -2.642444
H -4.786307 2.757165 0.092345
H -4.891945 1.636403 -2.156991
H 3.322504 -3.851300 1.254820
H 2.640109 -4.192680 -0.384731
H 1.915005 -4.968262 1.075500
H 3.550423 3.840579 -1.430912
H 3.829579 2.237319 -2.212226
H 4.527219 2.583266 -0.580460


