%chk=000268615.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268615

0 1
I 2.602542 -0.527621 -2.879065
I 1.252667 3.352549 1.717833
O 2.805128 2.133580 -0.422198
O -2.640331 -0.422977 1.101987
O -2.284401 -1.827749 -0.637328
C 4.089196 1.846951 -1.053278
C 4.823435 0.746329 -0.344969
C 1.743730 1.289868 -0.453224
C -0.660954 -0.114001 -0.114650
C -4.996849 -0.372368 0.548100
C -3.935261 -1.052703 1.364388
C 1.456070 0.192894 -1.279288
C 0.792588 1.689819 0.528048
C 0.259517 -0.507520 -1.095494
C -0.394681 1.007888 0.698676
C -1.906318 -0.891192 0.032504
C 4.609922 0.519215 1.021693
C 5.754821 -0.031926 -1.047806
C -5.799185 0.624250 1.120748
C -5.186711 -0.738480 -0.793006
C 5.316768 -0.490660 1.679398
C 6.463450 -1.036097 -0.382793
C 6.244092 -1.268762 0.979119
C -6.793772 1.242834 0.357187
C -6.180109 -0.116014 -1.552091
C -6.986031 0.873062 -0.977627
H 4.579218 2.833425 -0.888914
H 3.946117 1.681214 -2.136443
H -4.035770 -0.886327 2.453191
H -3.861566 -2.136339 1.148336
H 0.018083 -1.379134 -1.723855
H -1.131712 1.314305 1.453269
H 3.888433 1.133440 1.565907
H 5.926203 0.139039 -2.108905
H -5.648077 0.922182 2.156814
H -4.546548 -1.504522 -1.241035
H 5.144555 -0.669877 2.739684
H 7.185222 -1.641887 -0.928121
H 6.794071 -2.055200 1.492663
H -7.417272 2.015704 0.803129
H -6.325436 -0.400982 -2.592953
H -7.760742 1.356090 -1.570428


%chk=000268615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268615

0 1
I 2.398859 0.684530 -3.959542
I 1.700460 3.036690 1.743360
O 3.023630 2.420967 -1.102072
O -2.283074 -0.682176 0.701150
O -2.060151 -1.646236 -1.417279
C 4.426666 1.841372 -1.200592
C 4.735956 0.812707 -0.139040
C 1.926281 1.576461 -0.985518
C -0.432445 -0.002617 -0.652568
C -4.768739 -0.683692 0.462729
C -3.556868 -1.467178 0.914960
C 1.457502 0.715394 -2.022175
C 1.134063 1.657993 0.200607
C 0.307704 -0.075864 -1.857228
C -0.026911 0.885923 0.373585
C -1.649698 -0.856443 -0.528993
C 5.178357 1.209607 1.149170
C 4.598428 -0.570730 -0.423852
C -5.455845 0.161051 1.371167
C -5.232043 -0.785368 -0.875060
C 5.472976 0.243752 2.135295
C 4.889427 -1.539423 0.562405
C 5.327283 -1.133449 1.844215
C -6.585373 0.897905 0.951238
C -6.360991 -0.048664 -1.295677
C -7.040081 0.793851 -0.384167
H 5.033934 2.753382 -1.091320
H 4.558474 1.429336 -2.215765
H -3.554919 -1.635802 2.003055
H -3.456431 -2.421333 0.370320
H -0.047766 -0.740561 -2.649422
H -0.622259 0.956944 1.285856
H 5.284483 2.276595 1.377239
H 4.268101 -0.888099 -1.420711
H -5.102676 0.243304 2.406552
H -4.694804 -1.431068 -1.578728
H 5.815430 0.561308 3.126342
H 4.779481 -2.604618 0.331375
H 5.556301 -1.883434 2.609662
H -7.110026 1.547877 1.660220
H -6.711577 -0.131778 -2.330341
H -7.917014 1.363883 -0.711247


