%chk=000245604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245604

0 1
O 2.398392 0.051829 0.588233
O 1.187195 -0.764516 -1.173445
N 0.178165 -0.074422 0.847719
C -1.189444 0.051802 0.398885
C -1.852582 1.293752 0.542617
C -1.864632 -1.074747 -0.124859
C 3.666749 -0.242070 -0.123008
C -3.200318 1.389976 0.174566
C -3.212388 -0.937835 -0.494817
C -3.873079 0.280554 -0.343371
C -1.142187 2.493061 1.081954
C -1.177029 -2.385249 -0.295005
C 3.869511 0.824413 -1.184140
C 4.682089 -0.202281 1.006182
C 1.223495 -0.293399 -0.055966
H 3.562377 -1.256097 -0.569265
H 0.408679 0.409326 1.720481
H -3.725677 2.336281 0.285394
H -3.744901 -1.794535 -0.904465
H -4.919808 0.369398 -0.632334
H -0.945575 2.394693 2.158822
H -0.179699 2.660138 0.576282
H -1.725738 3.415386 0.951332
H -0.405739 -2.312732 -1.088523
H -0.651837 -2.691971 0.621080
H -1.858209 -3.196379 -0.574680
H 4.846055 0.729497 -1.671030
H 3.099457 0.745031 -1.967749
H 3.801414 1.835254 -0.764797
H 5.694046 -0.403820 0.637738
H 4.445489 -0.945189 1.779339
H 4.693627 0.776949 1.503231


%chk=000245604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245604

0 1
O 2.418334 0.031013 0.606221
O 1.173717 -0.653489 -1.283527
N 0.162785 0.172695 0.694795
C -1.227911 0.142853 0.333811
C -1.973561 1.350763 0.487090
C -1.847107 -1.063903 -0.105523
C 3.696402 -0.244376 -0.134950
C -3.352482 1.341296 0.173979
C -3.227361 -1.021220 -0.427833
C -3.978328 0.164836 -0.292795
C -1.299622 2.624415 0.967610
C -1.085265 -2.369349 -0.203800
C 4.032171 0.958587 -1.028449
C 4.738649 -0.522595 0.951103
C 1.225879 -0.195482 -0.115013
H 3.519817 -1.138868 -0.761229
H 0.428435 0.638729 1.565376
H -3.931619 2.265606 0.284227
H -3.715569 -1.940551 -0.771967
H -5.045231 0.171193 -0.541843
H -1.003794 2.565736 2.035079
H -0.383127 2.841083 0.387954
H -1.979487 3.487107 0.868977
H -0.421521 -2.371713 -1.087159
H -0.437336 -2.523316 0.679457
H -1.780397 -3.222861 -0.277948
H 4.979887 0.776457 -1.568056
H 3.237746 1.120412 -1.776454
H 4.148675 1.873251 -0.419809
H 5.712756 -0.759589 0.486164
H 4.433168 -1.376931 1.579121
H 4.869193 0.360308 1.601790


