%chk=000245599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245599

0 1
O -1.027879 -1.170825 0.628484
O -1.038209 2.326585 -0.085775
O -2.834644 -1.931163 -0.517393
N -2.219798 0.368802 -0.542108
C -0.321425 0.120018 0.845625
C 1.075050 -0.019904 0.295473
C -1.178631 1.139067 0.038869
C -0.376739 0.389866 2.333089
C -2.131500 -1.015414 -0.202920
C 1.830884 1.128989 0.018167
C 1.625057 -1.292186 0.091721
C -3.270350 0.911165 -1.425749
C 3.135517 0.999355 -0.462702
C 2.930903 -1.414167 -0.391719
C 3.686674 -0.270663 -0.667658
H 0.083827 1.356515 2.583898
H -1.406141 0.391906 2.716657
H 0.166365 -0.389697 2.890871
H 1.398516 2.121481 0.168450
H 1.028096 -2.182360 0.306772
H -4.271909 0.649706 -1.040515
H -3.168557 0.502317 -2.446879
H -3.183191 2.013132 -1.475216
H 3.723455 1.890237 -0.680155
H 3.357935 -2.403232 -0.553013
H 4.704393 -0.367731 -1.043575


%chk=000245599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245599

0 1
O -1.081906 -1.207903 0.670482
O -1.060197 2.335696 -0.069353
O -2.952395 -1.932080 -0.544334
N -2.239592 0.339372 -0.552947
C -0.352572 0.099983 0.847842
C 1.066893 -0.034544 0.281041
C -1.217852 1.097124 0.035052
C -0.360254 0.446101 2.347931
C -2.179687 -1.031644 -0.191024
C 1.848387 1.128741 0.062844
C 1.622446 -1.312653 0.030215
C -3.282258 0.882688 -1.431127
C 3.174751 1.009050 -0.406353
C 2.951130 -1.424812 -0.438284
C 3.731477 -0.266830 -0.656512
H 0.122040 1.426315 2.500582
H -1.391505 0.491669 2.738388
H 0.202881 -0.320326 2.905018
H 1.414981 2.119444 0.238629
H 1.013693 -2.206091 0.195889
H -4.280912 0.646326 -1.028757
H -3.195271 0.453376 -2.443159
H -3.142374 1.974351 -1.476764
H 3.770944 1.911752 -0.579421
H 3.373832 -2.416721 -0.632749
H 4.761018 -0.356587 -1.020428


