%chk=000271907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271907

0 1
O 0.245904 0.597519 1.700256
O -0.246789 -0.589600 -1.700480
N 2.769078 0.323816 0.622361
N -2.770198 -0.318405 -0.622485
C 0.392403 0.616958 0.284108
C -0.393245 -0.609425 -0.284309
C 1.823529 0.557076 -0.221116
C -1.824287 -0.549765 0.221105
C 4.142936 0.223577 0.232889
C -4.144038 -0.218612 -0.232841
C 5.084262 0.925135 1.009725
C -4.564808 0.614020 0.820071
C 4.563348 -0.608137 -0.820894
C -5.085040 -0.921701 -1.008689
C 6.442590 0.794192 0.718864
C -5.929540 0.738813 1.090013
C 5.928048 -0.733563 -1.090699
C -6.443396 -0.791361 -0.717700
C 6.867173 -0.032591 -0.327894
C -6.868336 0.036323 0.328202
H -0.088757 1.577886 -0.021908
H 0.087993 -1.570375 0.021557
H 1.906396 0.708855 -1.310976
H -1.906805 -0.700078 1.311210
H 1.041321 0.202363 2.140957
H -1.042998 -0.196062 -2.141200
H 4.748045 1.559172 1.829407
H -3.836702 1.167516 1.409837
H 3.834976 -1.160453 -1.411439
H -4.748549 -1.556437 -1.827719
H 7.176717 1.337184 1.313543
H -6.261755 1.386782 1.900641
H 6.259982 -1.380832 -1.902001
H -7.177270 -1.335538 -1.311609
H 7.928769 -0.131493 -0.545766
H -7.929955 0.134741 0.546180


%chk=000271907-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271907

0 1
O 0.439512 0.653785 1.693627
O -0.439239 -0.645806 -1.691109
N 2.798456 0.467285 0.582230
N -2.799037 -0.461552 -0.581140
C 0.426416 0.616117 0.244051
C -0.427034 -0.607739 -0.241538
C 1.839345 0.506501 -0.298254
C -1.840266 -0.497525 0.299857
C 4.172152 0.286270 0.239324
C -4.173120 -0.281503 -0.239277
C 5.141682 0.880481 1.088075
C -4.599065 0.502626 0.869078
C 4.596582 -0.495607 -0.871201
C -5.141497 -0.879094 -1.086971
C 6.516029 0.730889 0.808436
C -5.975855 0.658576 1.132921
C 5.973051 -0.652679 -1.136055
C -6.516164 -0.730585 -0.808324
C 6.937593 -0.035061 -0.304477
C -6.939220 0.037608 0.302474
H -0.047054 1.534540 -0.161348
H 0.045951 -1.526129 0.164521
H 1.963786 0.460232 -1.392982
H -1.965296 -0.449630 1.394444
H 1.417896 0.606912 1.937671
H -1.417403 -0.597711 -1.935794
H 4.797349 1.458864 1.951543
H -3.857841 1.008685 1.498659
H 3.854414 -0.999079 -1.501745
H -4.796025 -1.459193 -1.948831
H 7.257759 1.202649 1.462212
H -6.298839 1.272201 1.981333
H 6.294858 -1.264570 -1.986166
H -7.256989 -1.204946 -1.461245
H 8.005376 -0.161215 -0.513692
H -8.007260 0.162903 0.510893


