%chk=000213998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213998

0 1
O -1.388076 -2.517589 0.777157
O 2.507070 0.249402 0.394634
O -3.494091 -0.230698 -0.539914
O 1.006475 3.038920 -0.567597
O -1.639204 2.030351 1.159392
N -1.543547 -0.246931 0.835510
N 0.457419 1.140653 0.778854
C 0.712619 -1.369353 0.485906
C 0.993016 -1.935374 -0.931247
C 1.352599 -2.240719 1.602234
C -0.803762 -1.460676 0.698260
C 1.322888 0.029893 0.542028
C -0.960577 1.050738 0.924600
C 0.262507 -1.174289 -2.029641
C 2.839827 -2.507701 1.423509
C -3.050241 -0.324955 0.800134
C 1.040541 2.533464 0.753714
C -3.674403 1.109101 -1.053851
C 2.156246 2.736843 -1.390833
H 0.699008 -3.006640 -0.949659
H 2.088316 -1.912771 -1.115239
H 0.807043 -3.211570 1.642221
H 1.175390 -1.753556 2.582910
H -0.830590 -1.244146 -1.931989
H 0.521875 -0.109048 -2.048697
H 0.513286 -1.582623 -3.017567
H 3.041400 -3.178617 0.580560
H 3.407935 -1.580813 1.242657
H 3.262842 -2.976936 2.320224
H -3.471867 0.468797 1.448624
H -3.364026 -1.354704 1.095150
H 2.065113 2.497945 1.174315
H 0.357690 3.224473 1.302793
H -4.465004 1.621009 -0.497843
H -3.977395 0.923669 -2.091030
H -2.738873 1.675375 -1.010514
H 3.029559 3.278512 -1.016179
H 1.849325 3.115821 -2.372674
H 2.350165 1.659944 -1.422012


%chk=000213998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213998

0 1
O -1.468051 -2.463386 -0.064440
O 2.511609 0.205246 -0.166771
O -3.658327 0.036975 -0.409099
O 0.826359 3.289894 -0.245106
O -1.448144 1.873212 1.650962
N -1.488141 -0.264514 0.696210
N 0.535701 1.053490 0.721928
C 0.716202 -1.410104 0.227519
C 1.243554 -2.239641 -0.978868
C 1.126627 -2.092692 1.607407
C -0.820467 -1.428626 0.233639
C 1.327393 -0.006808 0.209755
C -0.837611 0.939031 1.073207
C 0.795900 -1.702392 -2.354438
C 2.637837 -2.313235 1.813473
C -2.980227 -0.309684 0.816176
C 1.144376 2.413588 0.857689
C -3.614100 1.469926 -0.747674
C 1.525615 2.972861 -1.501511
H 0.883824 -3.276136 -0.849472
H 2.345347 -2.244435 -0.929009
H 0.596150 -3.063391 1.634341
H 0.724652 -1.480626 2.439891
H -0.303859 -1.711019 -2.455956
H 1.164016 -0.673534 -2.524667
H 1.207795 -2.335529 -3.160303
H 3.048351 -3.037637 1.089884
H 3.212116 -1.376198 1.716064
H 2.811539 -2.719862 2.826496
H -3.255571 0.366581 1.645753
H -3.256090 -1.354679 1.011555
H 2.233665 2.259623 0.961217
H 0.697568 2.891419 1.739537
H -3.916382 2.095391 0.114409
H -4.324491 1.596172 -1.578604
H -2.602944 1.780483 -1.075741
H 2.614172 2.859419 -1.337052
H 1.326095 3.823764 -2.170481
H 1.136442 2.042252 -1.959021


