%chk=000276003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276003

0 1
O 4.203372 -0.462953 -0.902225
O -1.603989 -2.439022 -0.653813
O -3.679117 -2.605652 0.126475
O 3.396838 1.221164 0.435309
N 0.826843 0.287008 -0.333985
N 1.993071 -0.236853 -0.817358
C -1.554152 0.399383 -0.238631
C -2.682448 -0.402960 0.027912
C -1.625878 1.785419 -0.008278
C -3.862144 0.198090 0.514454
C -2.798683 2.365980 0.472971
C -3.923050 1.572009 0.731571
C -0.306382 -0.184606 -0.776456
C -2.752407 -1.868873 -0.133858
C 5.582503 -0.136723 -0.523425
C 5.871117 -0.638098 0.873782
C 3.204605 0.298692 -0.311795
H -0.745073 2.405889 -0.196458
H -4.733012 -0.433859 0.722630
H -2.838920 3.442009 0.650505
H -4.839931 2.026428 1.105330
H -0.443605 -0.996119 -1.513694
H 6.133033 -0.684346 -1.311436
H 5.723084 0.954170 -0.625930
H 6.934744 -0.542176 1.123645
H 5.305299 -0.068113 1.628207
H 5.593736 -1.693532 0.993193
H 2.030871 -1.037487 -1.462392
H -1.691525 -3.429670 -0.731552


%chk=000276003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276003

0 1
O 4.235719 -0.664376 -0.741539
O -1.975009 -2.604515 -0.819240
O -4.247577 -2.354172 -0.545459
O 3.444473 1.453453 -0.047113
N 0.848717 0.259408 -0.184402
N 2.020555 -0.401531 -0.468313
C -1.555452 0.232505 -0.003503
C -2.836030 -0.415975 -0.094307
C -1.525132 1.603831 0.394067
C -4.016315 0.322691 0.213413
C -2.698841 2.313494 0.691797
C -3.959157 1.670016 0.602284
C -0.271761 -0.431716 -0.295060
C -3.106888 -1.829964 -0.488448
C 5.640107 -0.166915 -0.665622
C 6.195017 -0.305565 0.754384
C 3.246021 0.268107 -0.377250
H -0.545786 2.086857 0.459148
H -4.974883 -0.199606 0.135645
H -2.637156 3.364829 0.993432
H -4.880232 2.215067 0.832770
H -0.295511 -1.487964 -0.599092
H 6.178385 -0.803411 -1.385959
H 5.657289 0.884776 -1.002014
H 7.259941 -0.007581 0.768975
H 5.646426 0.347622 1.453704
H 6.124116 -1.349429 1.106058
H 2.043968 -1.389741 -0.760414
H -2.296206 -3.514996 -1.063244


